N-[[(3R)-1-(2-methylpropyl)pyrrolidin-1-ium-3-yl]methyl]-6-(1,4-oxazepan-4-yl)pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-(2-methylpropyl)pyrrolidin-1-ium-3-yl]methyl]-6-(1,4-oxazepan-4-yl)pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-isobutylpyrrolidin-1-ium-3-yl]methyl]-6-(1,4-oxazepan-4-yl)pyridine-3-carboxamide CAS Name: N-[[(3R)-1-(2-methylpropyl)-3-pyrrolidin-1-iumyl]methyl]-6-(1,4-oxazepan-4-yl)-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-(2-methylpropyl)pyrrolidin-1-ium-3-yl]methyl]-6-(1,4-oxazepan-4-yl)pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-isobutylpyrrolidin-1-ium-3-yl]methyl]-6-(1,4-oxazepan-4-yl)nicotinamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(C1)CNC(=O)C2=CN=C(C=C2)N3CCCOCC3

Isomeric SMILES

CC(C)C[NH+]1CC[C@@H](C1)CNC(=O)C2=CN=C(C=C2)N3CCCOCC3

InChI

InChI=1S/C20H32N4O2/c1-16(2)14-23-8-6-17(15-23)12-22-20(25)18-4-5-19(21-13-18)24-7-3-10-26-11-9-24/h4-5,13,16-17H,3,6-12,14-15H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1