1-[(2S)-butan-2-yl]-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N5-prop-2-enyl-pyridine-3,5-dicarboxamide

Systemtic Name: 1-[(2S)-butan-2-yl]-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N5-prop-2-enyl-pyridine-3,5-dicarboxamide Openeye Name: N5-allyl-N3-(1-benzylpiperidin-1-ium-4-yl)-1-[(1S)-1-methylpropyl]-4-oxo-pyridine-3,5-dicarboxamide CAS Name: 1-[(2S)-butan-2-yl]-4-oxo-N3-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N5-prop-2-enylpyridine-3,5-dicarboxamide IUPAC Name: 3-N-(1-benzylpiperidin-1-ium-4-yl)-1-[(2S)-butan-2-yl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide Traditional Name: N'-allyl-N-(1-benzylpiperidin-1-ium-4-yl)-4-keto-1-[(1S)-1-methylpropyl]dinicotinamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC=C

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC=C

InChI

InChI=1S/C26H34N4O3/c1-4-13-27-25(32)22-17-30(19(3)5-2)18-23(24(22)31)26(33)28-21-11-14-29(15-12-21)16-20-9-7-6-8-10-20/h4,6-10,17-19,21H,1,5,11-16H2,2-3H3,(H,27,32)(H,28,33)/p+1/t19-/m0/s1