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

Systemtic Name: N5-methyl-1-(3-methylbutyl)-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridine-3,5-dicarboxamide Openeye Name: N3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-isopentyl-N5-methyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-methyl-1-(3-methylbutyl)-4-oxo-N3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-isoamyl-4-keto-N'-methyl-dinicotinamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C(=O)NC

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C(=O)NC

InChI

InChI=1S/C24H32N4O3/c1-17(2)9-11-28-15-20(23(30)25-3)22(29)21(16-28)24(31)26-19-10-12-27(14-19)13-18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,25,30)(H,26,31)/p+1/t19-/m0/s1