ethyl 4-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(4-phenylpiperazino)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H36N4O2/c1-2-29-23(28)26-13-10-21(11-14-26)27-12-6-9-22(19-27)25-17-15-24(16-18-25)20-7-4-3-5-8-20/h3-5,7-8,21-22H,2,6,9-19H2,1H3/p+1/t22-/m0/s1