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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N2O/c1-25-22-11-5-4-9-20(22)15-23-13-6-10-21(17-23)24-14-12-18-7-2-3-8-19(18)16-24/h2-5,7-9,11,21H,6,10,12-17H2,1H3/p+1/t21-/m0/s1