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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-m-anisylpiperidin-1-ium-3-yl]methanone Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28N2O2/c1-27-22-10-4-6-18(14-22)15-24-12-5-9-21(16-24)23(26)25-13-11-19-7-2-3-8-20(19)17-25/h2-4,6-8,10,14,21H,5,9,11-13,15-17H2,1H3/p+1/t21-/m1/s1