methyl sulfate; N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline

Systemtic Name: methyl sulfate; N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline Openeye Name: methyl sulfate; N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline CAS Name: methyl sulfate; N-methyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline IUPAC Name: methyl sulfate; N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline Traditional Name: methyl-phenyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine; methyl sulfate Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=CC=C3)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=N/N(C)C3=CC=CC=C3)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H22N3.CH4O4S/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5-6(2,3)4/h5-14H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1