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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=CS2)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=CS2)C(=O)N3CCC[NH+](CC3)C

InChI

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