N-[2-[(2-prop-2-enoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(2-prop-2-enoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(2-allyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[(2-prop-2-enoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(2-prop-2-enoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-(2-allyloxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C25H25N3O2/c1-2-15-30-24-6-4-3-5-21(24)17-28-14-11-19-7-8-23(16-22(19)18-28)27-25(29)20-9-12-26-13-10-20/h2-10,12-13,16H,1,11,14-15,17-18H2,(H,27,29)/p+1