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

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-18(23(27)26-11-10-19-6-3-4-7-20(19)17-26)24-12-14-25(15-13-24)21-8-5-9-22(16-21)28-2/h3-9,16,18H,10-15,17H2,1-2H3/p+1/t18-/m1/s1