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

Systemtic Name: N5-butyl-1-cyclohexyl-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-butyl-1-cyclohexyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-butyl-1-cyclohexyl-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-butyl-1-cyclohexyl-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-N'-butyl-1-cyclohexyl-4-keto-dinicotinamide Formula: C28H39N4O3+ MolecularWeight: 479.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C28H38N4O3/c1-2-3-15-29-27(34)24-19-32(23-12-8-5-9-13-23)20-25(26(24)33)28(35)30-22-14-16-31(18-22)17-21-10-6-4-7-11-21/h4,6-7,10-11,19-20,22-23H,2-3,5,8-9,12-18H2,1H3,(H,29,34)(H,30,35)/p+1/t22-/m0/s1