3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(3,4-dimethylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]propyl-dimethyl-ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

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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=CC(=CC(=C3S2)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3OS/c1-15-12-18(4)21-20(13-15)24-23(28-21)26(11-7-10-25(5)6)22(27)19-9-8-16(2)17(3)14-19/h8-9,12-14H,7,10-11H2,1-6H3/p+1