2-[1-phenyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-phenyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-yl]sulfanylethanoic acid Openeye Name: 2-[1-phenyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-yl]sulfanylacetic acid CAS Name: 2-[[1-phenyl-1,2-bis(1-pyrrolyl)-3-pyrrol-1-iumyl]thio]acetic acid IUPAC Name: 2-[1-phenyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-yl]sulfanylacetic acid Traditional Name: 2-[[1-phenyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-yl]thio]acetic acid Formula: C20H18N3O2S+ MolecularWeight: 364.44082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2(C=CC(=C2N3C=CC=C3)SCC(=O)O)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[N+]2(C=CC(=C2N3C=CC=C3)SCC(=O)O)N4C=CC=C4

InChI

InChI=1S/C20H17N3O2S/c24-19(25)16-26-18-10-15-23(22-13-6-7-14-22,17-8-2-1-3-9-17)20(18)21-11-4-5-12-21/h1-15H,16H2/p+1