4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]aniline CAS Name: 4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]aniline Traditional Name: [4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C16H21N4+ MolecularWeight: 269.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=CC=C(C=C3)N

InChI

InChI=1S/C16H20N4/c17-15-1-3-16(4-2-15)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14/h1-8H,9-13,17H2/p+1