6-(4-methyl-3-oxidanylidene-piperazin-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(4-methyl-3-oxidanylidene-piperazin-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-(4-methyl-3-oxo-piperazin-1-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(4-methyl-3-oxo-1-piperazinyl)-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(4-methyl-3-oxopiperazin-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(3-keto-4-methyl-piperazino)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

CN1CCN(CC1=O)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

InChI

InChI=1S/C19H23N5O2/c1-23-11-12-24(14-18(23)25)17-8-7-15(13-22-17)19(26)21-10-4-6-16-5-2-3-9-20-16/h2-3,5,7-9,13H,4,6,10-12,14H2,1H3,(H,21,26)/p+1