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

Systemtic Name: ethanedioic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]aniline; hydrate Openeye Name: N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]aniline; oxalic acid; hydrate CAS Name: oxalic acid; N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]aniline; hydrate IUPAC Name: oxalic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]aniline; hydrate Traditional Name: [1-methyl-2-(4-phenethylpiperazino)ethyl]-phenyl-amine; oxalic acid; hydrate Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CCC2=CC=CC=C2)NC3=CC=CC=C3.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC(CN1CCN(CC1)CCC2=CC=CC=C2)NC3=CC=CC=C3.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C21H29N3.C2H2O4.H2O/c1-19(22-21-10-6-3-7-11-21)18-24-16-14-23(15-17-24)13-12-20-8-4-2-5-9-20;3-1(4)2(5)6;/h2-11,19,22H,12-18H2,1H3;(H,3,4)(H,5,6);1H2