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

Systemtic Name: [2-[(3-methylphenyl)amino]-1,3-thiazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(3-methylanilino)thiazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(3-methylanilino)-4-thiazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(3-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-(m-toluidino)thiazol-4-yl]methanone Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=CS2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=CS2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H20N4OS/c1-12-4-3-5-13(10-12)17-16-18-14(11-22-16)15(21)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18)/p+1