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

Systemtic Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]propyl]azanium Openeye Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[(2-methylphenyl)-oxomethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-o-toluoyl-amino]propyl]ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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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=C3C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H25N3OS/c1-15-9-5-6-11-17(15)20(25)24(14-8-13-23(3)4)21-22-19-16(2)10-7-12-18(19)26-21/h5-7,9-12H,8,13-14H2,1-4H3/p+1