2-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: 2-[[2-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[[2-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NC(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NC(C)C

InChI

InChI=1S/C24H31N3O2S/c1-18(2)25-23(28)17-30-22-11-7-6-10-21(22)24(29)27-14-12-26(13-15-27)16-20-9-5-4-8-19(20)3/h4-11,18H,12-17H2,1-3H3,(H,25,28)/p+1