3-methoxy-N-[2-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide

Systemtic Name: 3-methoxy-N-[2-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-methoxy-N-[2-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide CAS Name: 3-methoxy-N-[2-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-methoxy-N-[2-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-methoxy-N-[2-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propionamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CC[NH+](C2)CC3=CC=CN3C4=CC=CC=N4)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CC[NH+](C2)CC3=CC=CN3C4=CC=CC=N4)C=C1

InChI

InChI=1S/C23H26N4O2/c1-29-14-10-23(28)25-20-8-7-18-9-13-26(16-19(18)15-20)17-21-5-4-12-27(21)22-6-2-3-11-24-22/h2-8,11-12,15H,9-10,13-14,16-17H2,1H3,(H,25,28)/p+1