ethyl 4-[(2R)-2-(4-phenylpiperazin-1-yl)carbonyl-6-azoniaspiro[2.5]octan-6-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-2-(4-phenylpiperazin-1-yl)carbonyl-6-azoniaspiro[2.5]octan-6-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-(4-phenylpiperazine-1-carbonyl)-6-azoniaspiro[2.5]octan-6-yl]piperidine-1-carboxylate CAS Name: 4-[(2R)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-6-azoniaspiro[2.5]octan-6-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-(4-phenylpiperazine-1-carbonyl)-6-azoniaspiro[2.5]octan-6-yl]piperidine-1-carboxylate Traditional Name: 4-[(2R)-2-(4-phenylpiperazine-1-carbonyl)-6-azoniaspiro[2.5]octan-6-yl]piperidine-1-carboxylic acid ethyl ester Formula: C26H39N4O3+ MolecularWeight: 455.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC3(CC2)CC3C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC3(CC2)C[C@H]3C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H38N4O3/c1-2-33-25(32)30-12-8-22(9-13-30)27-14-10-26(11-15-27)20-23(26)24(31)29-18-16-28(17-19-29)21-6-4-3-5-7-21/h3-7,22-23H,2,8-20H2,1H3/p+1/t23-/m0/s1