3-(3-butoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 3-(3-butoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 3-(3-butoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 3-(3-butoxyphenyl)-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-(3-butoxyphenyl)-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 3-(3-butoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCCOC1=CC=CC(=C1)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H26N2O2/c1-2-3-13-21-16-6-4-5-15(14-16)7-8-17(20)19-11-9-18-10-12-19/h4-6,14,18H,2-3,7-13H2,1H3/p+1