[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)methanone Openeye Name: (2-methylsulfanyl-3-phenyl-imidazol-4-yl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-[2-(methylthio)-3-phenyl-4-imidazolyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-[2-(methylthio)-3-phenyl-imidazol-4-yl]methanone Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN=C(N3C4=CC=CC=C4)SC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN=C(N3C4=CC=CC=C4)SC

InChI

InChI=1S/C23H26N4OS/c1-18-7-6-8-19(15-18)17-25-11-13-26(14-12-25)22(28)21-16-24-23(29-2)27(21)20-9-4-3-5-10-20/h3-10,15-16H,11-14,17H2,1-2H3/p+1