6-(4-cyclopentylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(4-cyclopentylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-(4-cyclopentylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(4-cyclopentyl-1-piperazin-4-iumyl)-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(4-cyclopentylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(4-cyclopentylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C23H33N5O+2 MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(=O)NCCCC4=CC=CC=N4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(=O)NCCCC4=CC=CC=N4

InChI

InChI=1S/C23H31N5O/c29-23(25-13-5-7-20-6-3-4-12-24-20)19-10-11-22(26-18-19)28-16-14-27(15-17-28)21-8-1-2-9-21/h3-4,6,10-12,18,21H,1-2,5,7-9,13-17H2,(H,25,29)/p+2