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

Systemtic Name: N-[5-ethyl-6-phenyl-3-(prop-2-enoylamino)phenanthridin-5-ium-8-yl]prop-2-enamide bromide Openeye Name: N-[5-ethyl-6-phenyl-3-(prop-2-enoylamino)phenanthridin-5-ium-8-yl]prop-2-enamide bromide CAS Name: N-[5-ethyl-3-(1-oxoprop-2-enylamino)-6-phenyl-8-phenanthridin-5-iumyl]-2-propenamide bromide IUPAC Name: N-[5-ethyl-6-phenyl-3-(prop-2-enoylamino)phenanthridin-5-ium-8-yl]prop-2-enamide bromide Traditional Name: N-(3-acrylamido-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)acrylamide bromide Formula: C27H24BrN3O2 MolecularWeight: 502.40236

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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)NC(=O)C=C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O2.BrH/c1-4-25(31)28-19-12-14-21-22-15-13-20(29-26(32)5-2)17-24(22)30(6-3)27(23(21)16-19)18-10-8-7-9-11-18;/h4-5,7-17H,1-2,6H2,3H3,(H,28,31);1H