[6-(diethylamino)-9-(4-piperazin-1-ylsulfonyl-2-sulfo-phenyl)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-(4-piperazin-1-ylsulfonyl-2-sulfo-phenyl)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(4-piperazin-1-ylsulfonyl-2-sulfo-phenyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-[4-(1-piperazinylsulfonyl)-2-sulfophenyl]-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(4-piperazin-1-ylsulfonyl-2-sulfophenyl)xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-(4-piperazinosulfonyl-2-sulfo-phenyl)xanthen-3-ylidene]-diethyl-ammonium Formula: C31H39N4O6S2+ MolecularWeight: 627.79456

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)N5CCNCC5)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)N5CCNCC5)S(=O)(=O)O

InChI

InChI=1S/C31H38N4O6S2/c1-5-33(6-2)22-9-12-25-28(19-22)41-29-20-23(34(7-3)8-4)10-13-26(29)31(25)27-14-11-24(21-30(27)43(38,39)40)42(36,37)35-17-15-32-16-18-35/h9-14,19-21,32H,5-8,15-18H2,1-4H3/p+1