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

Systemtic Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-butoxy-3-methoxyphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-butoxy-3-methoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC

InChI

InChI=1S/C23H29N3O3/c1-3-4-17-29-21-7-5-19(18-22(21)28-2)6-8-23(27)26-15-13-25(14-16-26)20-9-11-24-12-10-20/h5-12,18H,3-4,13-17H2,1-2H3/p+1/b8-6+