4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H26N4O/c24-15-19-5-7-20(8-6-19)16-25-11-13-26(14-12-25)18-23(28)27-10-9-21-3-1-2-4-22(21)17-27/h1-8H,9-14,16-18H2/p+1