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

Systemtic Name: 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide CAS Name: 3-(2-methoxyphenyl)-N-[2-[3-(1-pyrazolyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propionamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CC[NH+](C3)CCCN4C=CC=N4)C=C2

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CC[NH+](C3)CCCN4C=CC=N4)C=C2

InChI

InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-21(24)9-11-25(30)27-23-10-8-20-12-17-28(19-22(20)18-23)14-5-16-29-15-4-13-26-29/h2-4,6-8,10,13,15,18H,5,9,11-12,14,16-17,19H2,1H3,(H,27,30)/p+1