1-(2,3-dimethylindol-1-yl)-3-[(2-methoxyphenyl)azaniumyl]propan-2-olate; ethanedioic acid

Systemtic Name: 1-(2,3-dimethylindol-1-yl)-3-[(2-methoxyphenyl)azaniumyl]propan-2-olate; ethanedioic acid Openeye Name: 1-(2,3-dimethylindol-1-yl)-3-[(2-methoxyphenyl)ammonio]propan-2-olate; oxalic acid CAS Name: 1-(2,3-dimethyl-1-indolyl)-3-[(2-methoxyphenyl)ammonio]-2-propanolate; oxalic acid IUPAC Name: 1-(2,3-dimethylindol-1-yl)-3-[(2-methoxyphenyl)azaniumyl]propan-2-olate; oxalic acid Traditional Name: 1-(2,3-dimethylindol-1-yl)-3-[(2-methoxyphenyl)ammonio]propan-2-olate; oxalic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC(C[NH2+]C3=CC=CC=C3OC)[O-])C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC(C[NH2+]C3=CC=CC=C3OC)[O-])C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N2O2.C2H2O4/c1-14-15(2)22(19-10-6-4-8-17(14)19)13-16(23)12-21-18-9-5-7-11-20(18)24-3;3-1(4)2(5)6/h4-11,16,21H,12-13H2,1-3H3;(H,3,4)(H,5,6)/q-1;/p+1