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

Systemtic Name: N,N-dimethyl-2-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N,N-dimethyl-2-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N,N-dimethyl-2-[[2-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]thio]acetamide IUPAC Name: N,N-dimethyl-2-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N,N-dimethyl-2-[[2-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-18-8-4-5-9-19(18)16-25-12-14-26(15-13-25)23(28)20-10-6-7-11-21(20)29-17-22(27)24(2)3/h4-11H,12-17H2,1-3H3/p+1