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

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C24H31N2O+ MolecularWeight: 363.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O/c1-19(24(27)26-16-13-22-9-5-6-10-23(22)18-26)25-14-11-21(12-15-25)17-20-7-3-2-4-8-20/h2-10,19,21H,11-18H2,1H3/p+1/t19-/m1/s1