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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28N2O/c1-18-8-10-19(11-9-18)15-24-13-4-7-22(16-24)23(26)25-14-12-20-5-2-3-6-21(20)17-25/h2-3,5-6,8-11,22H,4,7,12-17H2,1H3/p+1/t22-/m1/s1