2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C27H32N2O+2 MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O/c1-2-10-26(11-3-1)30-27-12-6-7-22(19-27)20-28-16-14-25(15-17-28)29-18-13-23-8-4-5-9-24(23)21-29/h1-12,19,25H,13-18,20-21H2/p+2