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

Systemtic Name: 4-ethoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; methyl sulfate Openeye Name: 4-ethoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline; methyl sulfate CAS Name: 4-ethoxy-N-methyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline; methyl sulfate IUPAC Name: 4-ethoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; methyl sulfate Traditional Name: methyl-p-phenetyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine; methyl sulfate Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O.CH4O4S/c1-6-25-17-13-11-16(12-14-17)24(5)22-15-20-21(2,3)18-9-7-8-10-19(18)23(20)4;1-5-6(2,3)4/h7-15H,6H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1