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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: [(3R)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: [(3R)-1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C30H35N2O3+ MolecularWeight: 471.6105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCC4=CC=CC=C4C3)OCC5=CC=CC=C5

InChI

InChI=1S/C30H34N2O3/c1-34-29-18-24(13-14-28(29)35-22-23-8-3-2-4-9-23)19-31-16-7-12-27(20-31)30(33)32-17-15-25-10-5-6-11-26(25)21-32/h2-6,8-11,13-14,18,27H,7,12,15-17,19-22H2,1H3/p+1/t27-/m1/s1