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

Systemtic Name: 2-chloranyl-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]nicotinamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O/c1-14(2)18(12-23-20(25)17-8-5-10-22-19(17)21)24-11-9-15-6-3-4-7-16(15)13-24/h3-8,10,14,18H,9,11-13H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1