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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C24H30ClN2O+ MolecularWeight: 397.9608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H29ClN2O/c25-23-8-5-20(6-9-23)17-26-14-11-19(12-15-26)7-10-24(28)27-16-13-21-3-1-2-4-22(21)18-27/h1-6,8-9,19H,7,10-18H2/p+1