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

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-2-nitro-benzamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-2-nitro-benzamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C20H22ClN3O3/c1-14-7-6-9-16(19(14)24(26)27)20(25)22-13-18(23-11-4-5-12-23)15-8-2-3-10-17(15)21/h2-3,6-10,18H,4-5,11-13H2,1H3,(H,22,25)/p+1/t18-/m0/s1