(3,4-dimethoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone; ethanedioic acid

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone; ethanedioic acid Openeye Name: (3,4-dimethoxyphenyl)-[4-(4-phenylpiperazin-1-yl)-1-piperidyl]methanone; oxalic acid CAS Name: (3,4-dimethoxyphenyl)-[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]methanone; oxalic acid IUPAC Name: (3,4-dimethoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone; oxalic acid Traditional Name: (3,4-dimethoxyphenyl)-[4-(4-phenylpiperazino)piperidino]methanone; oxalic acid Formula: C26H33N3O7 MolecularWeight: 499.55612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O3.C2H2O4/c1-29-22-9-8-19(18-23(22)30-2)24(28)27-12-10-21(11-13-27)26-16-14-25(15-17-26)20-6-4-3-5-7-20;3-1(4)2(5)6/h3-9,18,21H,10-17H2,1-2H3;(H,3,4)(H,5,6)