3-[(3-methoxyphenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-methoxyphenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-methoxyphenyl)-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[m-anisoyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

InChI

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