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

Systemtic Name: 2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate Openeye Name: 2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline sulfate CAS Name: 2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline sulfate IUPAC Name: 2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate Traditional Name: (2,4-dimethoxyphenyl)-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]amine sulfate Formula: C42H50N4O8S MolecularWeight: 770.9334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/NC3=C(C=C(C=C3)OC)OC)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/NC3=C(C=C(C=C3)OC)OC)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C21H24N2O2.H2O4S/c2*1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;1-5(2,3)4/h2*6-14H,1-5H3;(H2,1,2,3,4)