3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propanenitrile

Systemtic Name: 3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propanenitrile Openeye Name: 3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propanenitrile CAS Name: 3-(1-methyl-4-phenyl-1-piperazin-1-iumyl)propanenitrile IUPAC Name: 3-(1-methyl-4-phenylpiperazin-1-ium-1-yl)propanenitrile Traditional Name: 3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propionitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=CC=C2)CCC#N

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C14H20N3/c1-17(11-5-8-15)12-9-16(10-13-17)14-6-3-2-4-7-14/h2-4,6-7H,5,9-13H2,1H3/q+1