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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(p-tolylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylbenzyl)piperidin-1-ium-4-yl]methanone Formula: C23H29N2O+ MolecularWeight: 349.48916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28N2O/c1-18-6-8-19(9-7-18)16-24-13-10-21(11-14-24)23(26)25-15-12-20-4-2-3-5-22(20)17-25/h2-9,21H,10-17H2,1H3/p+1