N-[3-[1,2-di(pyrrol-1-yl)-5-sulfanyl-pyrrol-1-ium-1-yl]phenyl]nonanamide

Systemtic Name: N-[3-[1,2-di(pyrrol-1-yl)-5-sulfanyl-pyrrol-1-ium-1-yl]phenyl]nonanamide Openeye Name: N-[3-[1,2-di(pyrrol-1-yl)-5-sulfanyl-pyrrol-1-ium-1-yl]phenyl]nonanamide CAS Name: N-[3-[2-mercapto-1,5-bis(1-pyrrolyl)-1-pyrrol-1-iumyl]phenyl]nonanamide IUPAC Name: N-[3-[1,2-di(pyrrol-1-yl)-5-sulfanylpyrrol-1-ium-1-yl]phenyl]nonanamide Traditional Name: N-[3-[2-mercapto-1,5-di(pyrrol-1-yl)pyrrol-1-ium-1-yl]phenyl]pelargonamide Formula: C27H33N4OS+ MolecularWeight: 461.64212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=CC(=CC=C1)[N+]2(C(=CC=C2S)N3C=CC=C3)N4C=CC=C4

Isomeric SMILES

CCCCCCCCC(=O)NC1=CC(=CC=C1)[N+]2(C(=CC=C2S)N3C=CC=C3)N4C=CC=C4

InChI

InChI=1S/C27H32N4OS/c1-2-3-4-5-6-7-15-25(32)28-23-13-12-14-24(22-23)31(30-20-10-11-21-30)26(16-17-27(31)33)29-18-8-9-19-29/h8-14,16-22H,2-7,15H2,1H3,(H-,28,32,33)/p+1