8-chloranyl-5-[5-(diethylamino)pentan-2-yl]phenazin-5-ium-1,3-diamine chloride

Systemtic Name: 8-chloranyl-5-[5-(diethylamino)pentan-2-yl]phenazin-5-ium-1,3-diamine chloride Openeye Name: 8-chloro-5-[4-(diethylamino)-1-methyl-butyl]phenazin-5-ium-1,3-diamine chloride CAS Name: 8-chloro-5-[5-(diethylamino)pentan-2-yl]phenazin-5-ium-1,3-diamine chloride IUPAC Name: 8-chloro-5-[5-(diethylamino)pentan-2-yl]phenazin-5-ium-1,3-diamine chloride Traditional Name: 4-(1,3-diamino-8-chloro-phenazin-5-ium-5-yl)pentyl-diethyl-amine chloride Formula: C21H29Cl2N5 MolecularWeight: 422.39446

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)[N+]1=C2C=CC(=CC2=NC3=C(C=C(C=C31)N)N)Cl.[Cl-]

Isomeric SMILES

CCN(CC)CCCC(C)[N+]1=C2C=CC(=CC2=NC3=C(C=C(C=C31)N)N)Cl.[Cl-]

InChI

InChI=1S/C21H28ClN5.ClH/c1-4-26(5-2)10-6-7-14(3)27-19-9-8-15(22)11-18(19)25-21-17(24)12-16(23)13-20(21)27;/h8-9,11-14H,4-7,10H2,1-3H3,(H3,23,24);1H