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

Systemtic Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline sulfate Openeye Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline sulfate CAS Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline sulfate IUPAC Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline sulfate Traditional Name: methyl-(p-tolyl)-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine sulfate Formula: C40H48N6O4S MolecularWeight: 708.91192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)N=CC2=[N+](C3=CC=CC=C3C2(C)C)C.CC1=CC=C(C=C1)N(C)N=CC2=[N+](C3=CC=CC=C3C2(C)C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(/N=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C.CC1=CC=C(C=C1)N(/N=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C20H24N3.H2O4S/c2*1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5(2,3)4/h2*6-14H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2