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

Systemtic Name: 2-[1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[1-(1-benzylpiperidin-1-ium-4-yl)-4-piperidyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[1-(1-benzylpiperidin-1-ium-4-yl)-4-piperidyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C26H37N3+2 MolecularWeight: 391.59208

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC(CC2)[NH+]3CCC4=CC=CC=C4C3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2CCC(CC2)[NH+]3CCC4=CC=CC=C4C3)CC5=CC=CC=C5

InChI

InChI=1S/C26H35N3/c1-2-6-22(7-3-1)20-27-15-11-25(12-16-27)28-18-13-26(14-19-28)29-17-10-23-8-4-5-9-24(23)21-29/h1-9,25-26H,10-21H2/p+2