(4-methyl-1,4-diazepan-4-ium-1-yl)-[2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl]methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl]methanone Openeye Name: [2-(2-methylanilino)thiazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [2-(2-methylanilino)-4-thiazolyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [2-(2-methylanilino)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(o-toluidino)thiazol-4-yl]methanone Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=CS2)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=CS2)C(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C17H22N4OS/c1-13-6-3-4-7-14(13)18-17-19-15(12-23-17)16(22)21-9-5-8-20(2)10-11-21/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,19)/p+1