N-[2-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(Z)-2-chloro-3-phenyl-allyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[(Z)-2-chloro-3-phenylprop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(Z)-2-chloro-3-phenylprop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[(Z)-2-chloro-3-phenyl-allyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C24H23ClN3O+ MolecularWeight: 404.91192

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC(=CC4=CC=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C/C(=C/C4=CC=CC=C4)/Cl

InChI

InChI=1S/C24H22ClN3O/c25-22(14-18-4-2-1-3-5-18)17-28-13-10-19-6-7-23(15-21(19)16-28)27-24(29)20-8-11-26-12-9-20/h1-9,11-12,14-15H,10,13,16-17H2,(H,27,29)/p+1/b22-14-