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

Systemtic Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-propoxyphenyl)-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-propoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one Formula: C24H31N2O3+ MolecularWeight: 395.51454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C24H30N2O3/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/h4-12,18H,3,13-17,19H2,1-2H3/p+1/b12-10+