3-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)ethanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29N3O3S/c1-5-29-19-8-6-9-20-22(19)24-23(30-20)26(15-7-14-25(2)3)21(27)16-17-10-12-18(28-4)13-11-17/h6,8-13H,5,7,14-16H2,1-4H3/p+1