N2,N7-bis[3-(1-methylpiperazin-1-ium-1-yl)propyl]-9-oxidanylidene-xanthene-2,7-dicarboxamide

Systemtic Name: N2,N7-bis[3-(1-methylpiperazin-1-ium-1-yl)propyl]-9-oxidanylidene-xanthene-2,7-dicarboxamide Openeye Name: N2,N7-bis[3-(1-methylpiperazin-1-ium-1-yl)propyl]-9-oxo-xanthene-2,7-dicarboxamide CAS Name: N2,N7-bis[3-(1-methyl-1-piperazin-1-iumyl)propyl]-9-oxoxanthene-2,7-dicarboxamide IUPAC Name: 2-N,7-N-bis[3-(1-methylpiperazin-1-ium-1-yl)propyl]-9-oxoxanthene-2,7-dicarboxamide Traditional Name: 9-keto-N,N'-bis[3-(1-methylpiperazin-1-ium-1-yl)propyl]xanthene-2,7-dicarboxamide Formula: C31H44N6O4+2 MolecularWeight: 564.71886

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCCNC(=O)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)NCCC[N+]5(CCNCC5)C

Isomeric SMILES

C[N+]1(CCNCC1)CCCNC(=O)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)NCCC[N+]5(CCNCC5)C

InChI

InChI=1S/C31H42N6O4/c1-36(17-11-32-12-18-36)15-3-9-34-30(39)23-5-7-27-25(21-23)29(38)26-22-24(6-8-28(26)41-27)31(40)35-10-4-16-37(2)19-13-33-14-20-37/h5-8,21-22,32-33H,3-4,9-20H2,1-2H3/p+2