3-[(4-ethoxyphenyl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethoxyphenyl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxybenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-ethoxyphenyl)-oxomethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxybenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxybenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC

InChI

InChI=1S/C22H27N3O3S/c1-5-28-17-12-10-16(11-13-17)21(26)25(15-7-14-24(2)3)22-23-20-18(27-4)8-6-9-19(20)29-22/h6,8-13H,5,7,14-15H2,1-4H3/p+1