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

Systemtic Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(3-methoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-m-anisoyl-amino]propyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C22H27N3O2S/c1-15-12-16(2)20-19(13-15)23-22(28-20)25(11-7-10-24(3)4)21(26)17-8-6-9-18(14-17)27-5/h6,8-9,12-14H,7,10-11H2,1-5H3/p+1