N-(2-azanylethyl)-4-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]benzamide chloride

Systemtic Name: N-(2-azanylethyl)-4-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]benzamide chloride Openeye Name: N-(2-aminoethyl)-4-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)benzamide chloride CAS Name: N-(2-aminoethyl)-4-(3,8-diamino-5-methyl-6-phenanthridin-5-iumyl)benzamide chloride IUPAC Name: N-(2-aminoethyl)-4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzamide chloride Traditional Name: N-(2-aminoethyl)-4-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)benzamide chloride Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O.ClH/c1-28-21-13-17(26)7-9-19(21)18-8-6-16(25)12-20(18)22(28)14-2-4-15(5-3-14)23(29)27-11-10-24;/h2-9,12-13,26H,10-11,24H2,1H3,(H3,25,27,29);1H