1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperidin-1-ium

Systemtic Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperidin-1-ium Openeye Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperidin-1-ium CAS Name: 1-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl]piperidin-1-ium IUPAC Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperidin-1-ium Traditional Name: 1-[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]piperidin-1-ium Formula: C18H20ClN2O2S+ MolecularWeight: 363.8816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O2S/c19-15-5-7-16(8-6-15)24-18-9-4-14(12-17(18)21(22)23)13-20-10-2-1-3-11-20/h4-9,12H,1-3,10-11,13H2/p+1