ethyl 4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O3/c1-2-28-21(27)25-10-8-19(9-11-25)22-20(26)17-24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H,22,26)/p+2