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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]pyridine-3-carboxamide CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N-[3-(2-pyridinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Traditional Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]nicotinamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O/c1-2-24-12-14-25(15-13-24)19-9-8-17(16-23-19)20(26)22-11-5-7-18-6-3-4-10-21-18/h3-4,6,8-10,16H,2,5,7,11-15H2,1H3,(H,22,26)/p+1