[4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]sulfonyloxidanium

Systemtic Name: [4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]sulfonyloxidanium Openeye Name: [4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]sulfonyloxonium CAS Name: [4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]sulfonyloxonium IUPAC Name: [4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-3-(4-methylpiperazin-1-yl)sulfonylphenyl]sulfonyloxidanium Traditional Name: [4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-3-(4-methylpiperazino)sulfonyl-phenyl]sulfonyloxonium Formula: C32H43N4O6S2+ MolecularWeight: 643.83702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)[OH2+])S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)[OH2+])S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C32H42N4O6S2/c1-6-34(7-2)23-10-13-26-29(20-23)42-30-21-24(35(8-3)9-4)11-14-27(30)32(26)28-15-12-25(44(39,40)41)22-31(28)43(37,38)36-18-16-33(5)17-19-36/h10-15,20-22,32H,6-9,16-19H2,1-5H3,(H,39,40,41)/p+1