3-(2-methoxyphenyl)-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide

Systemtic Name: 3-(2-methoxyphenyl)-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-(2-methoxyphenyl)-N-[2-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide CAS Name: 3-(2-methoxyphenyl)-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-(2-methoxyphenyl)-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-(2-methoxyphenyl)-N-[2-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propionamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CC[NH+](C3)CC4=CC=NC=C4)C=C2

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CC[NH+](C3)CC4=CC=NC=C4)C=C2

InChI

InChI=1S/C25H27N3O2/c1-30-24-5-3-2-4-21(24)7-9-25(29)27-23-8-6-20-12-15-28(18-22(20)16-23)17-19-10-13-26-14-11-19/h2-6,8,10-11,13-14,16H,7,9,12,15,17-18H2,1H3,(H,27,29)/p+1