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

Systemtic Name: (E)-3-(2-bromanyl-4-methyl-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-bromo-4-methylphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-bromo-4-methylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C20H23BrN3O+ MolecularWeight: 401.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Br

InChI

InChI=1S/C20H22BrN3O/c1-16-2-3-18(19(21)14-16)4-5-20(25)24-12-10-23(11-13-24)15-17-6-8-22-9-7-17/h2-9,14H,10-13,15H2,1H3/p+1/b5-4+