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

Systemtic Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C21H26N3O3+ MolecularWeight: 368.44944

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-3-27-20-16-17(4-6-19(20)26-2)5-7-21(25)24-14-12-23(13-15-24)18-8-10-22-11-9-18/h4-11,16H,3,12-15H2,1-2H3/p+1/b7-5+