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

Systemtic Name: 4-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl]morpholin-4-ium Openeye Name: 4-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl]morpholin-4-ium Traditional Name: 4-[3-nitro-4-(p-tolylthio)benzyl]morpholin-4-ium Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O3S/c1-14-2-5-16(6-3-14)24-18-7-4-15(12-17(18)20(21)22)13-19-8-10-23-11-9-19/h2-7,12H,8-11,13H2,1H3/p+1