ethanedioate; N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide; hydrate

Systemtic Name: ethanedioate; N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide; hydrate Openeye Name: N-[2-(4-isopropylpiperazin-1-yl)-1-methyl-ethyl]-N-phenyl-propanamide; oxalate; hydrate CAS Name: oxalate; N-phenyl-N-[1-(4-propan-2-yl-1-piperazinyl)propan-2-yl]propanamide; hydrate IUPAC Name: oxalate; N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide; hydrate Traditional Name: N-[2-(4-isopropylpiperazino)-1-methyl-ethyl]-N-phenyl-propionamide; oxalate; hydrate Formula: C46H64N6O19-8 MolecularWeight: 1005.02916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)C(C)C.CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)C(C)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)C(C)C.CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)C(C)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O

InChI

InChI=1S/2C19H31N3O.4C2H2O4.H2O/c2*1-5-19(23)22(18-9-7-6-8-10-18)17(4)15-20-11-13-21(14-12-20)16(2)3;4*3-1(4)2(5)6;/h2*6-10,16-17H,5,11-15H2,1-4H3;4*(H,3,4)(H,5,6);1H2/p-8