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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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