(3-chlorophenyl)-(4-pentan-3-ylpiperazin-1-yl)methanone; ethanedioic acid

Systemtic Name: (3-chlorophenyl)-(4-pentan-3-ylpiperazin-1-yl)methanone; ethanedioic acid Openeye Name: (3-chlorophenyl)-[4-(1-ethylpropyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-chlorophenyl)-(4-pentan-3-yl-1-piperazinyl)methanone; oxalic acid IUPAC Name: (3-chlorophenyl)-(4-pentan-3-ylpiperazin-1-yl)methanone; oxalic acid Traditional Name: (3-chlorophenyl)-[4-(1-ethylpropyl)piperazino]methanone; oxalic acid Formula: C18H25ClN2O5 MolecularWeight: 384.8545

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23ClN2O.C2H2O4/c1-3-15(4-2)18-8-10-19(11-9-18)16(20)13-6-5-7-14(17)12-13;3-1(4)2(5)6/h5-7,12,15H,3-4,8-11H2,1-2H3;(H,3,4)(H,5,6)