N-[5-ethyl-3-(2-methylprop-2-enoylamino)-6-phenyl-phenanthridin-5-ium-8-yl]-2-methyl-prop-2-enamide bromide

Systemtic Name: N-[5-ethyl-3-(2-methylprop-2-enoylamino)-6-phenyl-phenanthridin-5-ium-8-yl]-2-methyl-prop-2-enamide bromide Openeye Name: N-[5-ethyl-3-(2-methylprop-2-enoylamino)-6-phenyl-phenanthridin-5-ium-8-yl]-2-methyl-prop-2-enamide bromide CAS Name: N-[5-ethyl-3-[(2-methyl-1-oxoprop-2-enyl)amino]-6-phenyl-8-phenanthridin-5-iumyl]-2-methyl-2-propenamide bromide IUPAC Name: N-[5-ethyl-3-(2-methylprop-2-enoylamino)-6-phenylphenanthridin-5-ium-8-yl]-2-methylprop-2-enamide bromide Traditional Name: N-(5-ethyl-3-methacrylamido-6-phenyl-phenanthridin-5-ium-8-yl)-2-methyl-acrylamide bromide Formula: C29H28BrN3O2 MolecularWeight: 530.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)C(=C)C)NC(=O)C(=C)C.[Br-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)C(=C)C)NC(=O)C(=C)C.[Br-]

InChI

InChI=1S/C29H27N3O2.BrH/c1-6-32-26-17-22(31-29(34)19(4)5)13-15-24(26)23-14-12-21(30-28(33)18(2)3)16-25(23)27(32)20-10-8-7-9-11-20;/h7-17H,2,4,6H2,1,3,5H3,(H,30,33);1H