N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)propanamide; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)propanamide; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)propanamide; oxalic acid CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)propanamide; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)propanamide; oxalic acid Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)propionamide; oxalic acid Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21N3O3.C2H2O4/c1-11(18-7-5-17(2)6-8-18)15(19)16-12-3-4-13-14(9-12)21-10-20-13;3-1(4)2(5)6/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,19);(H,3,4)(H,5,6)