4-ethanoyl-1-[2-(4-nitrophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazin-1-ium-1-carboxylic acid

Systemtic Name: 4-ethanoyl-1-[2-(4-nitrophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazin-1-ium-1-carboxylic acid Openeye Name: 4-acetyl-1-[2-(4-nitrophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazin-1-ium-1-carboxylic acid CAS Name: 4-acetyl-1-[2-(4-nitrophenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazin-1-iumcarboxylic acid IUPAC Name: 4-acetyl-1-[2-(4-nitrophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazin-1-ium-1-carboxylic acid Traditional Name: 4-acetyl-1-[2-(4-nitrophenyl)acetyl]-3-(pyrrolidinomethyl)piperazin-1-ium-1-carboxylic acid Formula: C20H27N4O6+ MolecularWeight: 419.45158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](CC1CN2CCCC2)(C(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)N1CC[N+](CC1CN2CCCC2)(C(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H26N4O6/c1-15(25)22-10-11-24(20(27)28,14-18(22)13-21-8-2-3-9-21)19(26)12-16-4-6-17(7-5-16)23(29)30/h4-7,18H,2-3,8-14H2,1H3/p+1