3-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzenecarbonitrile

Systemtic Name: 3-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzenecarbonitrile Openeye Name: 3-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzonitrile CAS Name: 3-[[3-(1-piperidin-1-iumyl)propylamino]methyl]benzonitrile IUPAC Name: 3-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzonitrile Traditional Name: 3-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzonitrile Formula: C16H24N3+ MolecularWeight: 258.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNCC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCCNCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H23N3/c17-13-15-6-4-7-16(12-15)14-18-8-5-11-19-9-2-1-3-10-19/h4,6-7,12,18H,1-3,5,8-11,14H2/p+1