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

Systemtic Name: 1-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl]piperidin-1-ium Openeye Name: 1-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methyl]piperidin-1-ium CAS Name: 1-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methyl]piperidin-1-ium IUPAC Name: 1-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl]piperidin-1-ium Traditional Name: 1-[3-nitro-4-(p-tolylthio)benzyl]piperidin-1-ium Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O2S/c1-15-5-8-17(9-6-15)24-19-10-7-16(13-18(19)21(22)23)14-20-11-3-2-4-12-20/h5-10,13H,2-4,11-12,14H2,1H3/p+1