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

Systemtic Name: N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate Openeye Name: N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline sulfate CAS Name: N,N-diethyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline sulfate IUPAC Name: N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate Traditional Name: diethyl-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]phenyl]amine sulfate Formula: C46H58N4O4S MolecularWeight: 763.04212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C23H29N2.H2O4S/c2*1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h2*8-17H,6-7H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2