ethanedioic acid; 1-hexadecyl-3-(4-methylpiperazin-1-yl)quinolin-2-one

Systemtic Name: ethanedioic acid; 1-hexadecyl-3-(4-methylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-hexadecyl-3-(4-methylpiperazin-1-yl)quinolin-2-one; oxalic acid CAS Name: 1-hexadecyl-3-(4-methyl-1-piperazinyl)-2-quinolinone; oxalic acid IUPAC Name: 1-hexadecyl-3-(4-methylpiperazin-1-yl)quinolin-2-one; oxalic acid Traditional Name: 1-cetyl-3-(4-methylpiperazino)carbostyril; oxalic acid Formula: C32H51N3O5 MolecularWeight: 557.76444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C=C(C1=O)N3CCN(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C=C(C1=O)N3CCN(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H49N3O.C2H2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-33-28-20-17-16-19-27(28)26-29(30(33)34)32-24-22-31(2)23-25-32;3-1(4)2(5)6/h16-17,19-20,26H,3-15,18,21-25H2,1-2H3;(H,3,4)(H,5,6)