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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: [(3R)-1-benzylpiperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: [(3R)-1-benzylpiperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [(3R)-1-benzylpiperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O/c25-22(24-14-12-19-9-4-5-10-20(19)17-24)21-11-6-13-23(16-21)15-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2/p+1/t21-/m1/s1