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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(4-ethylphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-(4-ethylbenzyl)piperidin-1-ium-3-yl]methanone Formula: C24H31N2O+ MolecularWeight: 363.51574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H30N2O/c1-2-19-9-11-20(12-10-19)16-25-14-5-8-23(17-25)24(27)26-15-13-21-6-3-4-7-22(21)18-26/h3-4,6-7,9-12,23H,2,5,8,13-18H2,1H3/p+1/t23-/m1/s1