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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C19H27N5O+2 MolecularWeight: 341.45058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O/c1-23-11-13-24(14-12-23)18-8-7-16(15-22-18)19(25)21-10-4-6-17-5-2-3-9-20-17/h2-3,5,7-9,15H,4,6,10-14H2,1H3,(H,21,25)/p+2