N-(cyclohexylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]thio]acetamide Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H32N4O2S/c30-24(27-18-20-8-2-1-3-9-20)19-32-22-11-5-4-10-21(22)25(31)29-16-14-28(15-17-29)23-12-6-7-13-26-23/h4-7,10-13,20H,1-3,8-9,14-19H2,(H,27,30)/p+1