1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-carbonitrile

Systemtic Name: 1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-carbonitrile Openeye Name: 1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-carbonitrile CAS Name: 1-methyl-4-(1-phenyl-3-isoquinolinyl)-1-piperazin-1-iumcarbonitrile IUPAC Name: 1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-carbonitrile Traditional Name: 1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-carbonitrile Formula: C21H21N4+ MolecularWeight: 329.41824

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C#N

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H21N4/c1-25(16-22)13-11-24(12-14-25)20-15-18-9-5-6-10-19(18)21(23-20)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3/q+1