2-(4-nitrophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C20H29N3O3S/c24-19(15-27-18-9-7-17(8-10-18)23(25)26)21-16-20(11-3-1-4-12-20)22-13-5-2-6-14-22/h7-10H,1-6,11-16H2,(H,21,24)/p+1