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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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