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

Systemtic Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-[(2-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-o-toluoyl-amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC

InChI

InChI=1S/C21H25N3O2S/c1-15-9-5-6-10-16(15)20(25)24(14-8-13-23(2)3)21-22-19-17(26-4)11-7-12-18(19)27-21/h5-7,9-12H,8,13-14H2,1-4H3/p+1