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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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