1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C21H25N3O2/c25-20-8-4-3-7-19(20)23-13-11-22(12-14-23)16-21(26)24-10-9-17-5-1-2-6-18(17)15-24/h1-8,25H,9-16H2/p+1