N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide

Systemtic Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide Openeye Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide CAS Name: N-[(2R)-2-[4-[(4-phenyl-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-3-pyridinecarboxamide IUPAC Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide Traditional Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]nicotinamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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