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

Systemtic Name: N-[2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C22H26ClN4O4+ MolecularWeight: 445.91924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4/c1-15-8-9-16(12-19(15)27(30)31)22(29)25-14-21(28)24-13-20(26-10-4-5-11-26)17-6-2-3-7-18(17)23/h2-3,6-9,12,20H,4-5,10-11,13-14H2,1H3,(H,24,28)(H,25,29)/p+1/t20-/m0/s1