N-propan-2-yl-1-[1-(2-pyridin-4-ylethanoyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-propan-2-yl-1-[1-(2-pyridin-4-ylethanoyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-isopropyl-1-[1-[2-(4-pyridyl)acetyl]-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(1-oxo-2-pyridin-4-ylethyl)-4-piperidinyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-isopropyl-1-[1-[2-(4-pyridyl)acetyl]-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)CC3=CC=NC=C3

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)CC3=CC=NC=C3

InChI

InChI=1S/C21H32N4O2/c1-16(2)23-21(27)18-5-11-24(12-6-18)19-7-13-25(14-8-19)20(26)15-17-3-9-22-10-4-17/h3-4,9-10,16,18-19H,5-8,11-15H2,1-2H3,(H,23,27)/p+1