2-[(4-carbamimidoylphenyl)amino]-2-[2-(2-dimethylaminoethyloxy)-5-ethyl-phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[2-(2-dimethylaminoethyloxy)-5-ethyl-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[2-(2-dimethylaminoethyloxy)-5-ethyl-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[2-(2-dimethylaminoethyloxy)-5-ethylphenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[2-(2-dimethylaminoethyloxy)-5-ethylphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[2-(2-dimethylaminoethyloxy)-5-ethyl-phenyl]acetate hydrochloride Formula: C21H28ClN4O3- MolecularWeight: 419.92502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCN(C)C)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCN(C)C)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C21H28N4O3.ClH/c1-4-14-5-10-18(28-12-11-25(2)3)17(13-14)19(21(26)27)24-16-8-6-15(7-9-16)20(22)23;/h5-10,13,19,24H,4,11-12H2,1-3H3,(H3,22,23)(H,26,27);1H/p-1