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

Systemtic Name: N5-ethyl-1-(2-methylpropyl)-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]-N5-ethyl-1-isobutyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-ethyl-1-(2-methylpropyl)-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-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-N'-ethyl-1-isobutyl-4-keto-dinicotinamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O3/c1-4-25-23(30)20-15-28(12-17(2)3)16-21(22(20)29)24(31)26-19-10-11-27(14-19)13-18-8-6-5-7-9-18/h5-9,15-17,19H,4,10-14H2,1-3H3,(H,25,30)(H,26,31)/p+1/t19-/m0/s1