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

Systemtic Name: (4-butoxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[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:

CCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C22H29N3O2/c1-2-3-18-27-21-6-4-20(5-7-21)22(26)25-16-14-24(15-17-25)13-10-19-8-11-23-12-9-19/h4-9,11-12H,2-3,10,13-18H2,1H3/p+1