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

Systemtic Name: N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline sulfate Openeye Name: N-methyl-4-phenylazo-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline sulfate CAS Name: N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline sulfate IUPAC Name: N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline sulfate Traditional Name: methyl-(4-phenylazophenyl)-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine sulfate Formula: C50H52N10O4S MolecularWeight: 889.07748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)N=NC4=CC=CC=C4)C)C.CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)N=NC4=CC=CC=C4)C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/N(C3=CC=C(C=C3)N=NC4=CC=CC=C4)C)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/N(C3=CC=C(C=C3)N=NC4=CC=CC=C4)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C25H26N5.H2O4S/c2*1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-5(2,3)4/h2*5-18H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2