6-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyridine-3-carboxamide

Systemtic Name: 6-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyridine-3-carboxamide Openeye Name: 6-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]pyridine-3-carboxamide CAS Name: 6-methyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: 6-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyridine-3-carboxamide Traditional Name: 6-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]nicotinamide Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C18H22N4O/c1-14-7-8-15(11-20-14)18(23)21-17-6-4-10-22(13-17)12-16-5-2-3-9-19-16/h2-3,5,7-9,11,17H,4,6,10,12-13H2,1H3,(H,21,23)/p+1/t17-/m0/s1