N5-(2-methylpropyl)-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-propan-2-yl-pyridine-3,5-dicarboxamide

Systemtic Name: N5-(2-methylpropyl)-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-propan-2-yl-pyridine-3,5-dicarboxamide Openeye Name: N3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-N5-isobutyl-1-isopropyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-(2-methylpropyl)-4-oxo-N3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-propan-2-ylpyridine-3,5-dicarboxamide IUPAC Name: 3-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-N'-isobutyl-1-isopropyl-4-keto-dinicotinamide Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H34N4O3/c1-17(2)12-26-24(31)21-15-29(18(3)4)16-22(23(21)30)25(32)27-20-10-11-28(14-20)13-19-8-6-5-7-9-19/h5-9,15-18,20H,10-14H2,1-4H3,(H,26,31)(H,27,32)/p+1/t20-/m0/s1