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

Systemtic Name: N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline sulfate Openeye Name: N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline sulfate CAS Name: N-methyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline sulfate IUPAC Name: N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline sulfate Traditional Name: methyl-phenyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine sulfate Formula: C38H44N6O4S MolecularWeight: 680.85876

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=CC=C3)C)C.CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=CC=C3)C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/N(C3=CC=CC=C3)C)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/N(C3=CC=CC=C3)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C19H22N3.H2O4S/c2*1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5(2,3)4/h2*5-14H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2