5-(1-methyl-1-naphthalen-2-yl-piperazin-1-ium-2-yl)pyridine-3-carbonitrile

Systemtic Name: 5-(1-methyl-1-naphthalen-2-yl-piperazin-1-ium-2-yl)pyridine-3-carbonitrile Openeye Name: 5-[1-methyl-1-(2-naphthyl)piperazin-1-ium-2-yl]pyridine-3-carbonitrile CAS Name: 5-[1-methyl-1-(2-naphthalenyl)-2-piperazin-1-iumyl]-3-pyridinecarbonitrile IUPAC Name: 5-(1-methyl-1-naphthalen-2-ylpiperazin-1-ium-2-yl)pyridine-3-carbonitrile Traditional Name: 5-[1-methyl-1-(2-naphthyl)piperazin-1-ium-2-yl]nicotinonitrile Formula: C21H21N4+ MolecularWeight: 329.41824

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1C2=CN=CC(=C2)C#N)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[N+]1(CCNCC1C2=CN=CC(=C2)C#N)C3=CC4=CC=CC=C4C=C3

InChI

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