2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide; ethyl 4-azanylbenzoate; 1-hexadecylpyridin-1-ium; chloride; hydrochloride

Systemtic Name: 2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide; ethyl 4-azanylbenzoate; 1-hexadecylpyridin-1-ium; chloride; hydrochloride Openeye Name: 2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide; ethyl 4-aminobenzoate; 1-hexadecylpyridin-1-ium; chloride; hydrochloride CAS Name: 4-aminobenzoic acid ethyl ester; 2-butoxy-N-(2-diethylaminoethyl)-4-quinolinecarboxamide; 1-hexadecylpyridin-1-ium; chloride; hydrochloride IUPAC Name: 2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide; ethyl 4-aminobenzoate; 1-hexadecylpyridin-1-ium; chloride; hydrochloride Traditional Name: 4-aminobenzoic acid ethyl ester; 2-butoxy-N-(2-diethylaminoethyl)cinchoninamide; 1-cetylpyridin-1-ium; chloride; hydrochloride Formula: C50H79Cl2N5O4 MolecularWeight: 885.09936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.CCOC(=O)C1=CC=C(C=C1)N.Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.CCOC(=O)C1=CC=C(C=C1)N.Cl.[Cl-]

InChI

InChI=1S/C21H38N.C20H29N3O2.C9H11NO2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;1-2-12-9(11)7-3-5-8(10)6-4-7;;/h15,17-18,20-21H,2-14,16,19H2,1H3;8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);3-6H,2,10H2,1H3;2*1H/q+1;;;;/p-1