3-azanyl-4-(4-methylpiperazin-1-yl)benzoic acid trihydrate

Systemtic Name: 3-azanyl-4-(4-methylpiperazin-1-yl)benzoic acid trihydrate Openeye Name: 3-amino-4-(4-methylpiperazin-1-yl)benzoic acid trihydrate CAS Name: 3-amino-4-(4-methyl-1-piperazinyl)benzoic acid trihydrate IUPAC Name: 3-amino-4-(4-methylpiperazin-1-yl)benzoic acid trihydrate Traditional Name: 3-amino-4-(4-methylpiperazino)benzoic acid trihydrate Formula: C12H23N3O5 MolecularWeight: 289.32812

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N.O.O.O

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N.O.O.O

InChI

InChI=1S/C12H17N3O2.3H2O/c1-14-4-6-15(7-5-14)11-3-2-9(12(16)17)8-10(11)13;;;/h2-3,8H,4-7,13H2,1H3,(H,16,17);3*1H2