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

Systemtic Name: N-(2-chloroethyl)-N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline; hydrogen sulfate Openeye Name: N-(2-chloroethyl)-N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline; hydrogen sulfate CAS Name: N-(2-chloroethyl)-N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline; hydrogen sulfate IUPAC Name: N-(2-chloroethyl)-N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline; hydrogen sulfate Traditional Name: 2-chloroethyl-ethyl-[3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]phenyl]amine bisulfate Formula: C24H31ClN2O4S MolecularWeight: 479.03194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN2.H2O4S/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;1-5(2,3)4/h7-14,17H,6,15-16H2,1-5H3;(H2,1,2,3,4)/q+1;/p-1