4-[3-azanyl-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]benzoic acid

Systemtic Name: 4-[3-azanyl-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]benzoic acid Openeye Name: 4-[3-amino-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]benzoic acid CAS Name: 4-[3-amino-7-(dimethylamino)-1,2-dimethyl-5-phenazin-5-iumyl]benzoic acid IUPAC Name: 4-[3-amino-7-(dimethylamino)-1,2-dimethylphenazin-5-ium-5-yl]benzoic acid Traditional Name: 4-[3-amino-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]benzoic acid Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)N=C3C=CC(=CC3=[N+]2C4=CC=C(C=C4)C(=O)O)N(C)C)N

Isomeric SMILES

CC1=C(C=C2C(=C1C)N=C3C=CC(=CC3=[N+]2C4=CC=C(C=C4)C(=O)O)N(C)C)N

InChI

InChI=1S/C23H22N4O2/c1-13-14(2)22-21(12-18(13)24)27(16-7-5-15(6-8-16)23(28)29)20-11-17(26(3)4)9-10-19(20)25-22/h5-12,24H,1-4H3,(H,28,29)/p+1