(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-2-33-27-22-23(8-10-26(27)35-21-20-34-25-6-4-3-5-7-25)9-11-28(32)31-18-16-30(17-19-31)24-12-14-29-15-13-24/h3-15,22H,2,16-21H2,1H3/p+1/b11-9+