3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzonitrile CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzonitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H19N3/c1-2-16-6-8-17(9-7-16)12-14-5-3-4-13(10-14)11-15/h3-5,10H,2,6-9,12H2,1H3/p+1