4-(3-chlorophenyl)sulfanyl-N-[(2-ethylpyrrolidin-1-ium-1-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(3-chlorophenyl)sulfanyl-N-[(2-ethylpyrrolidin-1-ium-1-yl)methyl]-3-nitro-benzamide Openeye Name: 4-(3-chlorophenyl)sulfanyl-N-[(2-ethylpyrrolidin-1-ium-1-yl)methyl]-3-nitro-benzamide CAS Name: 4-[(3-chlorophenyl)thio]-N-[(2-ethyl-1-pyrrolidin-1-iumyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(3-chlorophenyl)sulfanyl-N-[(2-ethylpyrrolidin-1-ium-1-yl)methyl]-3-nitrobenzamide Traditional Name: 4-[(3-chlorophenyl)thio]-N-[(2-ethylpyrrolidin-1-ium-1-yl)methyl]-3-nitro-benzamide Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC[NH+]1CNC(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1CCC[NH+]1CNC(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3S/c1-2-16-6-4-10-23(16)13-22-20(25)14-8-9-19(18(11-14)24(26)27)28-17-7-3-5-15(21)12-17/h3,5,7-9,11-12,16H,2,4,6,10,13H2,1H3,(H,22,25)/p+1