methyl sulfate; N-phenyl-4-(pyridin-1-ium-1-ylmethyldiazenyl)aniline

Systemtic Name: methyl sulfate; N-phenyl-4-(pyridin-1-ium-1-ylmethyldiazenyl)aniline Openeye Name: methyl sulfate; N-phenyl-4-(pyridin-1-ium-1-ylmethylazo)aniline CAS Name: methyl sulfate; N-phenyl-4-(1-pyridin-1-iumylmethylazo)aniline IUPAC Name: methyl sulfate; N-phenyl-4-(pyridin-1-ium-1-ylmethyldiazenyl)aniline Traditional Name: methyl sulfate; phenyl-[4-(pyridin-1-ium-1-ylmethylazo)phenyl]amine Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC[N+]3=CC=CC=C3

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC[N+]3=CC=CC=C3

InChI

InChI=1S/C18H17N4.CH4O4S/c1-3-7-16(8-4-1)20-17-9-11-18(12-10-17)21-19-15-22-13-5-2-6-14-22;1-5-6(2,3)4/h1-14,20H,15H2;1H3,(H,2,3,4)/q+1;/p-1