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

Systemtic Name: 4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate Openeye Name: 4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline sulfate CAS Name: 4-ethoxy-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline sulfate IUPAC Name: 4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate Traditional Name: p-phenetyl-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]amine sulfate Formula: C42H50N4O6S MolecularWeight: 738.9346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC=CC2=[N+](C3=CC=CC=C3C2(C)C)C.CCOC1=CC=C(C=C1)NC=CC2=[N+](C3=CC=CC=C3C2(C)C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.CCOC1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C21H24N2O.H2O4S/c2*1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;1-5(2,3)4/h2*6-15H,5H2,1-4H3;(H2,1,2,3,4)