2-[(4-propylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-propylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-propylpiperazin-4-ium-1-yl)methyl]benzonitrile CAS Name: 2-[(4-propyl-1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 2-[(4-propylpiperazin-4-ium-1-yl)methyl]benzonitrile Traditional Name: 2-[(4-propylpiperazin-4-ium-1-yl)methyl]benzonitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)CC2=CC=CC=C2C#N

Isomeric SMILES

CCC[NH+]1CCN(CC1)CC2=CC=CC=C2C#N

InChI

InChI=1S/C15H21N3/c1-2-7-17-8-10-18(11-9-17)13-15-6-4-3-5-14(15)12-16/h3-6H,2,7-11,13H2,1H3/p+1