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

Systemtic Name: 3-(1H-indol-3-yl)-N-[2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-(1H-indol-3-yl)-N-[2-(3-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide CAS Name: 3-(1H-indol-3-yl)-N-[2-(3-pyridinylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-N-[2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-(1H-indol-3-yl)-N-[2-(3-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propionamide Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)CCC3=CNC4=CC=CC=C43)CC5=CN=CC=C5

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)CCC3=CNC4=CC=CC=C43)CC5=CN=CC=C5

InChI

InChI=1S/C26H26N4O/c31-26(10-8-21-16-28-25-6-2-1-5-24(21)25)29-23-9-7-20-11-13-30(18-22(20)14-23)17-19-4-3-12-27-15-19/h1-7,9,12,14-16,28H,8,10-11,13,17-18H2,(H,29,31)/p+1