N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C20H30N5O+ MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H29N5O/c1-2-3-8-19-22-13-18(24-19)15-25-10-5-6-16(14-25)11-23-20(26)17-7-4-9-21-12-17/h4,7,9,12-13,16H,2-3,5-6,8,10-11,14-15H2,1H3,(H,22,24)(H,23,26)/p+1/t16-/m1/s1