[4-(2-methylpropoxy)phenyl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(2-methylpropoxy)phenyl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-isobutoxyphenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-(2-methylpropoxy)phenyl]-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(2-methylpropoxy)phenyl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-isobutoxyphenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C22H30N3O2+ MolecularWeight: 368.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C22H29N3O2/c1-18(2)17-27-21-5-3-20(4-6-21)22(26)25-15-13-24(14-16-25)12-9-19-7-10-23-11-8-19/h3-8,10-11,18H,9,12-17H2,1-2H3/p+1