potassium 6-methyl-2-(10H-phenothiazin-2-yl)quinoline-4-carboxylate hydrate

Systemtic Name: potassium 6-methyl-2-(10H-phenothiazin-2-yl)quinoline-4-carboxylate hydrate Openeye Name: potassium 6-methyl-2-(10H-phenothiazin-2-yl)quinoline-4-carboxylate hydrate CAS Name: potassium 6-methyl-2-(10H-phenothiazin-2-yl)-4-quinolinecarboxylate hydrate IUPAC Name: potassium 6-methyl-2-(10H-phenothiazin-2-yl)quinoline-4-carboxylate hydrate Traditional Name: potassium 6-methyl-2-(10H-phenothiazin-2-yl)cinchoninate hydrate Formula: C23H17KN2O3S MolecularWeight: 440.55598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC4=C(C=C3)SC5=CC=CC=C5N4.O.[K+]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC4=C(C=C3)SC5=CC=CC=C5N4.O.[K+]

InChI

InChI=1S/C23H16N2O2S.K.H2O/c1-13-6-8-17-15(10-13)16(23(26)27)12-19(24-17)14-7-9-22-20(11-14)25-18-4-2-3-5-21(18)28-22;;/h2-12,25H,1H3,(H,26,27);;1H2/q;+1;/p-1