hydrogen sulfate; 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline

Systemtic Name: hydrogen sulfate; 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline Openeye Name: hydrogen sulfate; 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline CAS Name: hydrogen sulfate; 4-methoxy-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline IUPAC Name: hydrogen sulfate; 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline Traditional Name: (4-methoxyphenyl)-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]amine bisulfate Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CNC3=CC=C(C=C3)OC)C)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/NC3=CC=C(C=C3)OC)C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C20H22N2O.H2O4S/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h5-14H,1-4H3;(H2,1,2,3,4)