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

Systemtic Name: N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; 2-oxidanylpropanoate Openeye Name: 2-hydroxypropanoate; N-methyl-4-phenylazo-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline CAS Name: 2-hydroxypropanoate; N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline IUPAC Name: 2-hydroxypropanoate; N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline Traditional Name: lactate; methyl-(4-phenylazophenyl)-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(=O)[O-])O.CC1(C2=CC=CC=C2[N+](=C1/C=N/N(C)C3=CC=C(C=C3)N=NC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H26N5.C3H6O3/c1-25(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;1-2(4)3(5)6/h5-18H,1-4H3;2,4H,1H3,(H,5,6)/q+1;/p-1