2-methoxy-N-[3-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]phenyl]benzamide

Systemtic Name: 2-methoxy-N-[3-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]phenyl]benzamide Openeye Name: 2-methoxy-N-[3-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidyl]phenyl]benzamide CAS Name: 2-methoxy-N-[3-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidinyl]phenyl]benzamide IUPAC Name: 2-methoxy-N-[3-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]phenyl]benzamide Traditional Name: 2-methoxy-N-[3-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidino]phenyl]benzamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H31N3O2/c1-33-27-12-5-4-11-26(27)28(32)29-23-9-6-10-25(19-23)30-17-14-24(15-18-30)31-16-13-21-7-2-3-8-22(21)20-31/h2-12,19,24H,13-18,20H2,1H3,(H,29,32)/p+1