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

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propan-1-one Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H31N3O2/c1-3-29-23-11-7-6-10-22(23)26-16-14-25(15-17-26)19(2)24(28)27-13-12-20-8-4-5-9-21(20)18-27/h4-11,19H,3,12-18H2,1-2H3/p+1/t19-/m1/s1