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

Systemtic Name: 2-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[(4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(1-p-anisylpiperidin-1-ium-4-yl)-3,4-dihydro-1H-isoquinoline Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N2O/c1-25-22-8-6-18(7-9-22)16-23-13-11-21(12-14-23)24-15-10-19-4-2-3-5-20(19)17-24/h2-9,21H,10-17H2,1H3/p+1