3-[(4-ethoxyphenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethoxyphenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-ethoxyphenyl)-oxomethyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-6-29-18-11-9-17(10-12-18)22(27)26(15-7-14-25(3)4)23-24-20-19(28-5)13-8-16(2)21(20)30-23/h8-13H,6-7,14-15H2,1-5H3/p+1