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

Systemtic Name: 3-(4-methylphenyl)-N-[2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-(p-tolyl)-N-[2-(3-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide CAS Name: 3-(4-methylphenyl)-N-[2-(3-pyridinylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-(p-tolyl)-N-[2-(3-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=CN=CC=C4)C=C2

Isomeric SMILES

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

InChI

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