2-methoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide

Systemtic Name: 2-methoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Openeye Name: 2-methoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide CAS Name: 2-methoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide IUPAC Name: 2-methoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Traditional Name: 2-methoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C22H24N4O2/c1-15-11-19(25-24-15)14-26-10-9-16-7-8-18(12-17(16)13-26)23-22(27)20-5-3-4-6-21(20)28-2/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,27)(H,24,25)/p+1