2-azanyl-N3-(2-methoxyphenyl)-6-pentylsulfanyl-N5-phenyl-pyridin-1-ium-3,5-dicarboxamide

Systemtic Name: 2-azanyl-N3-(2-methoxyphenyl)-6-pentylsulfanyl-N5-phenyl-pyridin-1-ium-3,5-dicarboxamide Openeye Name: 2-amino-N3-(2-methoxyphenyl)-6-pentylsulfanyl-N5-phenyl-pyridin-1-ium-3,5-dicarboxamide CAS Name: 2-amino-N3-(2-methoxyphenyl)-6-(pentylthio)-N5-phenylpyridin-1-ium-3,5-dicarboxamide IUPAC Name: 2-amino-3-N-(2-methoxyphenyl)-6-pentylsulfanyl-5-N-phenylpyridin-1-ium-3,5-dicarboxamide Traditional Name: 2-amino-6-(amylthio)-N-(2-methoxyphenyl)-N'-phenyl-pyridin-1-ium-3,5-dicarboxamide Formula: C25H29N4O3S+ MolecularWeight: 465.58776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=[NH+]1)N)C(=O)NC2=CC=CC=C2OC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCSC1=C(C=C(C(=[NH+]1)N)C(=O)NC2=CC=CC=C2OC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O3S/c1-3-4-10-15-33-25-19(24(31)27-17-11-6-5-7-12-17)16-18(22(26)29-25)23(30)28-20-13-8-9-14-21(20)32-2/h5-9,11-14,16H,3-4,10,15H2,1-2H3,(H2,26,29)(H,27,31)(H,28,30)/p+1