N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C22H28ClN4O4+ MolecularWeight: 447.93512

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27ClN4O4/c1-31-13-10-24-19-9-8-16(14-20(19)27(29)30)22(28)25-15-21(26-11-4-5-12-26)17-6-2-3-7-18(17)23/h2-3,6-9,14,21,24H,4-5,10-13,15H2,1H3,(H,25,28)/p+1/t21-/m0/s1