[acetyloxy-(8-azanyl-5-ethyl-6-phenyl-phenanthridin-5-ium-3-yl)amino] ethanoate bromide

Systemtic Name: [acetyloxy-(8-azanyl-5-ethyl-6-phenyl-phenanthridin-5-ium-3-yl)amino] ethanoate bromide Openeye Name: [acetoxy-(8-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-3-yl)amino] acetate bromide CAS Name: acetic acid [acetyloxy-(8-amino-5-ethyl-6-phenyl-3-phenanthridin-5-iumyl)amino] ester bromide IUPAC Name: [acetyloxy-(8-amino-5-ethyl-6-phenylphenanthridin-5-ium-3-yl)amino] acetate bromide Traditional Name: acetic acid [acetoxy-(8-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-3-yl)amino] ester bromide Formula: C25H24BrN3O4 MolecularWeight: 510.37976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N3O4.BrH/c1-4-27-24-15-20(28(31-16(2)29)32-17(3)30)11-13-22(24)21-12-10-19(26)14-23(21)25(27)18-8-6-5-7-9-18;/h5-15H,4,26H2,1-3H3;1H/q+1;/p-1