(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propan-1-one Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O/c1-18-7-3-6-10-22(18)25-15-13-24(14-16-25)19(2)23(27)26-12-11-20-8-4-5-9-21(20)17-26/h3-10,19H,11-17H2,1-2H3/p+1/t19-/m1/s1