N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyridine-4-carboxamide

Systemtic Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyridine-4-carboxamide Openeye Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyridine-4-carboxamide CAS Name: N-[(2R)-2-[4-[(4-phenyl-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-4-pyridinecarboxamide IUPAC Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyridine-4-carboxamide Traditional Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]isonicotinamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=NC=C1)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1=CC=NC=C1)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-21(19-29-27(31)25-11-15-28-16-12-25)32-26-9-7-22(8-10-26)20-30-17-13-24(14-18-30)23-5-3-2-4-6-23/h2-12,15-16,21,24H,13-14,17-20H2,1H3,(H,29,31)/p+1/t21-/m1/s1