2-azanyl-N3-phenyl-6-prop-2-enylsulfanyl-pyridin-1-ium-3,5-dicarboxamide

Systemtic Name: 2-azanyl-N3-phenyl-6-prop-2-enylsulfanyl-pyridin-1-ium-3,5-dicarboxamide Openeye Name: 2-allylsulfanyl-6-amino-N5-phenyl-pyridin-1-ium-3,5-dicarboxamide CAS Name: 2-amino-N3-phenyl-6-(prop-2-enylthio)pyridin-1-ium-3,5-dicarboxamide IUPAC Name: 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridin-1-ium-3,5-dicarboxamide Traditional Name: 2-(allylthio)-6-amino-N'-phenyl-pyridin-1-ium-3,5-dicarboxamide Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=C(C(=[NH+]1)N)C(=O)NC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C=CCSC1=C(C=C(C(=[NH+]1)N)C(=O)NC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C16H16N4O2S/c1-2-8-23-16-12(14(18)21)9-11(13(17)20-16)15(22)19-10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H2,17,20)(H2,18,21)(H,19,22)/p+1