tert-butyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H37N4O3+ MolecularWeight: 417.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H36N4O3/c1-23(2,3)30-22(29)27-12-9-19(10-13-27)21(28)24-11-14-25-15-17-26(18-16-25)20-7-5-4-6-8-20/h4-8,19H,9-18H2,1-3H3,(H,24,28)/p+1