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

Systemtic Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide CAS Name: N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-[(4-fluorophenyl)thio]-3-nitrobenzamide IUPAC Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-[(4-fluorophenyl)thio]-3-nitro-benzamide Formula: C20H23FN3O3S+ MolecularWeight: 404.478323

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O3S/c1-2-23-11-3-4-16(23)13-22-20(25)14-5-10-19(18(12-14)24(26)27)28-17-8-6-15(21)7-9-17/h5-10,12,16H,2-4,11,13H2,1H3,(H,22,25)/p+1