(E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C22H27N3O3/c1-3-28-21-16-18(4-6-20(21)27-2)5-7-22(26)25-14-12-24(13-15-25)17-19-8-10-23-11-9-19/h4-11,16H,3,12-15,17H2,1-2H3/p+1/b7-5+