3-[(4-butan-2-ylpiperazin-1-yl)methyl]-1H-indole; ethanedioic acid

Systemtic Name: 3-[(4-butan-2-ylpiperazin-1-yl)methyl]-1H-indole; ethanedioic acid Openeye Name: oxalic acid; 3-[(4-sec-butylpiperazin-1-yl)methyl]-1H-indole CAS Name: 3-[(4-butan-2-yl-1-piperazinyl)methyl]-1H-indole; oxalic acid IUPAC Name: 3-[(4-butan-2-ylpiperazin-1-yl)methyl]-1H-indole; oxalic acid Traditional Name: oxalic acid; 3-[(4-sec-butylpiperazino)methyl]-1H-indole Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)CC2=CNC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)CC2=CNC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3.C2H2O4/c1-3-14(2)20-10-8-19(9-11-20)13-15-12-18-17-7-5-4-6-16(15)17;3-1(4)2(5)6/h4-7,12,14,18H,3,8-11,13H2,1-2H3;(H,3,4)(H,5,6)