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

Systemtic Name: 4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]morpholin-4-ium Traditional Name: 4-[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]morpholin-4-ium Formula: C17H18ClN2O3S+ MolecularWeight: 365.85442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O3S/c18-14-2-4-15(5-3-14)24-17-6-1-13(11-16(17)20(21)22)12-19-7-9-23-10-8-19/h1-6,11H,7-10,12H2/p+1