methyl 4-methyl-3-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H30N4O4/c1-16-5-6-17(21(28)29-2)13-18(16)22-19(26)14-23-9-11-24(12-10-23)15-20(27)25-7-3-4-8-25/h5-6,13H,3-4,7-12,14-15H2,1-2H3,(H,22,26)/p+1