(E)-3-(3-butoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-butoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(3-butoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(3-butoxyphenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3-butoxyphenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(3-butoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2/c1-2-3-13-21-16-6-4-5-15(14-16)7-8-17(20)19-11-9-18-10-12-19/h4-8,14,18H,2-3,9-13H2,1H3/p+1/b8-7+