4-azanylbenzoic acid; 3-(2-azanylethyl)-1H-indol-5-ol; dihydrochloride

Systemtic Name: 4-azanylbenzoic acid; 3-(2-azanylethyl)-1H-indol-5-ol; dihydrochloride Openeye Name: 4-aminobenzoic acid; 3-(2-aminoethyl)-1H-indol-5-ol; dihydrochloride CAS Name: 4-aminobenzoic acid; 3-(2-aminoethyl)-1H-indol-5-ol; dihydrochloride IUPAC Name: 4-aminobenzoic acid; 3-(2-aminoethyl)-1H-indol-5-ol; dihydrochloride Traditional Name: 4-aminobenzoic acid; 3-(2-aminoethyl)-1H-indol-5-ol; dihydrochloride Formula: C17H21Cl2N3O3 MolecularWeight: 386.27294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N.C1=CC2=C(C=C1O)C(=CN2)CCN.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N.C1=CC2=C(C=C1O)C(=CN2)CCN.Cl.Cl

InChI

InChI=1S/C10H12N2O.C7H7NO2.2ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;8-6-3-1-5(2-4-6)7(9)10;;/h1-2,5-6,12-13H,3-4,11H2;1-4H,8H2,(H,9,10);2*1H