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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C28H32N3O+ MolecularWeight: 426.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O/c32-27(31-16-15-23-9-7-8-14-26(23)21-31)22-29-17-19-30(20-18-29)28(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-14,28H,15-22H2/p+1