3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide

Systemtic Name: 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-(p-tolyl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide CAS Name: 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-(p-tolyl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propionamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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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=NN4)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CC[NH+](C3)CC4=CC=NN4)C=C2

InChI

InChI=1S/C23H26N4O/c1-17-2-4-18(5-3-17)6-9-23(28)25-21-8-7-19-11-13-27(15-20(19)14-21)16-22-10-12-24-26-22/h2-5,7-8,10,12,14H,6,9,11,13,15-16H2,1H3,(H,24,26)(H,25,28)/p+1