N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-4-carboxamide

Systemtic Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-4-carboxamide Openeye Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-4-carboxamide CAS Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-pyridinecarboxamide IUPAC Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-4-carboxamide Traditional Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]isonicotinamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC=NC=C1)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC=NC=C1)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H25N3O/c1-15(2)19(13-22-20(24)17-7-10-21-11-8-17)23-12-9-16-5-3-4-6-18(16)14-23/h3-8,10-11,15,19H,9,12-14H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1