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

Systemtic Name: 6-(4-propylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Openeye Name: 6-(4-propylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]pyridine-3-carboxamide CAS Name: 6-(4-propyl-1-piperazin-4-iumyl)-N-[3-(2-pyridinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-propylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Traditional Name: 6-(4-propylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]nicotinamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=N3

InChI

InChI=1S/C21H29N5O/c1-2-12-25-13-15-26(16-14-25)20-9-8-18(17-24-20)21(27)23-11-5-7-19-6-3-4-10-22-19/h3-4,6,8-10,17H,2,5,7,11-16H2,1H3,(H,23,27)/p+1