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

Systemtic Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-4-nitro-benzamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-14-12-15(8-9-18(14)24(26)27)20(25)22-13-19(23-10-4-5-11-23)16-6-2-3-7-17(16)21/h2-3,6-9,12,19H,4-5,10-11,13H2,1H3,(H,22,25)/p+1/t19-/m1/s1