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

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C24H29N3O2/c1-18(24(29)27-12-11-21-5-3-4-6-22(21)17-27)25-13-15-26(16-14-25)23-9-7-20(8-10-23)19(2)28/h3-10,18H,11-17H2,1-2H3/p+1/t18-/m1/s1