3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3,4-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)OC)OC)C

InChI

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