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

Systemtic Name: 2-[(3S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[1-(2-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[1-(2-methoxyphenyl)-4-piperidinyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[1-(2-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C26H36N3O+ MolecularWeight: 406.58354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CCCC(C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CCC[C@@H](C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H35N3O/c1-30-26-11-5-4-10-25(26)27-17-13-23(14-18-27)28-15-6-9-24(20-28)29-16-12-21-7-2-3-8-22(21)19-29/h2-5,7-8,10-11,23-24H,6,9,12-20H2,1H3/p+1/t24-/m0/s1