ethyl N-[4-(3-azanyl-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate bromide

Systemtic Name: ethyl N-[4-(3-azanyl-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate bromide Openeye Name: ethyl N-[4-(3-amino-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate bromide CAS Name: N-[4-(3-amino-5-methyl-6-phenanthridin-5-iumyl)phenyl]carbamic acid ethyl ester bromide IUPAC Name: ethyl N-[4-(3-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]carbamate bromide Traditional Name: N-[4-(3-amino-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamic acid ethyl ester bromide Formula: C23H22BrN3O2 MolecularWeight: 452.34368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=CC(=C3)N)C4=CC=CC=C42)C.[Br-]

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=CC(=C3)N)C4=CC=CC=C42)C.[Br-]

InChI

InChI=1S/C23H21N3O2.BrH/c1-3-28-23(27)25-17-11-8-15(9-12-17)22-20-7-5-4-6-18(20)19-13-10-16(24)14-21(19)26(22)2;/h4-14H,3H2,1-2H3,(H2,24,25,27);1H