3-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]-N-ethyl-benzamide bromide

Systemtic Name: 3-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]-N-ethyl-benzamide bromide Openeye Name: 3-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)-N-ethyl-benzamide bromide CAS Name: 3-(3,8-diamino-5-methyl-6-phenanthridin-5-iumyl)-N-ethylbenzamide bromide IUPAC Name: 3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)-N-ethylbenzamide bromide Traditional Name: 3-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)-N-ethyl-benzamide bromide Formula: C23H23BrN4O MolecularWeight: 451.35892

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC(=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2C)N)N.[Br-]

Isomeric SMILES

CCNC(=O)C1=CC=CC(=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2C)N)N.[Br-]

InChI

InChI=1S/C23H22N4O.BrH/c1-3-26-23(28)15-6-4-5-14(11-15)22-20-12-16(24)7-9-18(20)19-10-8-17(25)13-21(19)27(22)2;/h4-13,25H,3,24H2,1-2H3,(H,26,28);1H