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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3OC

InChI

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