ethyl 4-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-o-phenetylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H35N4O4+ MolecularWeight: 419.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H34N4O4/c1-3-29-20-8-6-5-7-19(20)25-15-13-24(14-16-25)17-21(27)23-18-9-11-26(12-10-18)22(28)30-4-2/h5-8,18H,3-4,9-17H2,1-2H3,(H,23,27)/p+1