(E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-(4-benzylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-(4-benzylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C24H29N2O3+ MolecularWeight: 393.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC=C

InChI

InChI=1S/C24H28N2O3/c1-3-17-29-22-11-9-20(18-23(22)28-2)10-12-24(27)26-15-13-25(14-16-26)19-21-7-5-4-6-8-21/h3-12,18H,1,13-17,19H2,2H3/p+1/b12-10+