(E)-3-(3-methoxy-2-propoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-2-propoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(3-methoxy-2-propoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-2-propoxyphenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-2-propoxyphenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(3-methoxy-2-propoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)C=CC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)/C=C/C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H24N2O3/c1-3-13-22-17-14(5-4-6-15(17)21-2)7-8-16(20)19-11-9-18-10-12-19/h4-8,18H,3,9-13H2,1-2H3/p+1/b8-7+