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

Systemtic Name: ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-(4-o-phenetylpiperazin-1-ium-1-yl)piperidine-1-carboxylic acid ethyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H31N3O3/c1-3-25-19-8-6-5-7-18(19)22-15-13-21(14-16-22)17-9-11-23(12-10-17)20(24)26-4-2/h5-8,17H,3-4,9-16H2,1-2H3/p+1