4-[2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]ethoxy]benzonitrile IUPAC Name: 4-[2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Formula: C19H23N4O+ MolecularWeight: 323.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)CCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H22N4O/c20-15-17-4-6-19(7-5-17)24-14-13-22-9-11-23(12-10-22)16-18-3-1-2-8-21-18/h1-8H,9-14,16H2/p+1