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

Systemtic Name: (E)-3-(2-bromanyl-4-methyl-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2-bromo-4-methylphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-bromo-4-methylphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C19H21BrN3O+ MolecularWeight: 387.29354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Br

InChI

InChI=1S/C19H20BrN3O/c1-15-2-3-16(18(20)14-15)4-5-19(24)23-12-10-22(11-13-23)17-6-8-21-9-7-17/h2-9,14H,10-13H2,1H3/p+1/b5-4+