ethyl 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)piperidine-1-carboxylate CAS Name: 4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)piperidine-1-carboxylate Traditional Name: 4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C16H26N5O2+ MolecularWeight: 320.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H25N5O2/c1-2-23-16(22)21-8-4-14(5-9-21)19-10-12-20(13-11-19)15-17-6-3-7-18-15/h3,6-7,14H,2,4-5,8-13H2,1H3/p+1