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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-oxidanylidene-N5-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-N3-prop-2-enyl-pyridine-3,5-dicarboxamide Openeye Name: N3-allyl-1-[(1S)-1-methylpropyl]-4-oxo-N5-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide CAS Name: 1-[(2S)-butan-2-yl]-4-oxo-N5-[2-(4-phenyl-1-piperidin-1-iumyl)ethyl]-N3-prop-2-enylpyridine-3,5-dicarboxamide IUPAC Name: 1-[(2S)-butan-2-yl]-4-oxo-5-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide Traditional Name: N-allyl-4-keto-1-[(1S)-1-methylpropyl]-N'-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]dinicotinamide Formula: C27H37N4O3+ MolecularWeight: 465.60768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)NCC=C)C(=O)NCC[NH+]2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)NCC=C)C(=O)NCC[NH+]2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C27H36N4O3/c1-4-13-28-26(33)23-18-31(20(3)5-2)19-24(25(23)32)27(34)29-14-17-30-15-11-22(12-16-30)21-9-7-6-8-10-21/h4,6-10,18-20,22H,1,5,11-17H2,2-3H3,(H,28,33)(H,29,34)/p+1/t20-/m0/s1