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

Systemtic Name: 3-(4-methylphenyl)-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-(p-tolyl)-N-[2-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide CAS Name: 3-(4-methylphenyl)-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-(p-tolyl)-N-[2-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propionamide Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CC[NH+](C3)CC4=CC=NC=C4)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CC[NH+](C3)CC4=CC=NC=C4)C=C2

InChI

InChI=1S/C25H27N3O/c1-19-2-4-20(5-3-19)6-9-25(29)27-24-8-7-22-12-15-28(18-23(22)16-24)17-21-10-13-26-14-11-21/h2-5,7-8,10-11,13-14,16H,6,9,12,15,17-18H2,1H3,(H,27,29)/p+1