N-[1-(4-butylpiperazin-1-yl)propan-2-yl]aniline; ethanedioic acid; hydrate

Systemtic Name: N-[1-(4-butylpiperazin-1-yl)propan-2-yl]aniline; ethanedioic acid; hydrate Openeye Name: N-[2-(4-butylpiperazin-1-yl)-1-methyl-ethyl]aniline; oxalic acid; hydrate CAS Name: N-[1-(4-butyl-1-piperazinyl)propan-2-yl]aniline; oxalic acid; hydrate IUPAC Name: N-[1-(4-butylpiperazin-1-yl)propan-2-yl]aniline; oxalic acid; hydrate Traditional Name: [2-(4-butylpiperazino)-1-methyl-ethyl]-phenyl-amine; oxalic acid; hydrate Formula: C21H35N3O9 MolecularWeight: 473.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)CC(C)NC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCCCN1CCN(CC1)CC(C)NC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C17H29N3.2C2H2O4.H2O/c1-3-4-10-19-11-13-20(14-12-19)15-16(2)18-17-8-6-5-7-9-17;2*3-1(4)2(5)6;/h5-9,16,18H,3-4,10-15H2,1-2H3;2*(H,3,4)(H,5,6);1H2