2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C27H31N2O+ MolecularWeight: 399.54784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2CCC3=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+1