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

Systemtic Name: 3-(1H-indol-3-yl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-(1H-indol-3-yl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide CAS Name: 3-(1H-indol-3-yl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-(1H-indol-3-yl)-N-[2-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propionamide Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)CCC3=CNC4=CC=CC=C43)CC5=CC=NN5

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)CCC3=CNC4=CC=CC=C43)CC5=CC=NN5

InChI

InChI=1S/C24H25N5O/c30-24(8-6-18-14-25-23-4-2-1-3-22(18)23)27-20-7-5-17-10-12-29(15-19(17)13-20)16-21-9-11-26-28-21/h1-5,7,9,11,13-14,25H,6,8,10,12,15-16H2,(H,26,28)(H,27,30)/p+1