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

Systemtic Name: 2-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(3-chlorobenzyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C21H26ClN2+ MolecularWeight: 341.89754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H25ClN2/c22-20-7-3-4-17(14-20)15-23-11-9-21(10-12-23)24-13-8-18-5-1-2-6-19(18)16-24/h1-7,14,21H,8-13,15-16H2/p+1