(2,6-dimethylphenyl) 10-[3-[azanyl(ethyl)sulfamoyl]propyl]acridin-10-ium-9-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 10-[3-[azanyl(ethyl)sulfamoyl]propyl]acridin-10-ium-9-carboxylate Openeye Name: (2,6-dimethylphenyl) 10-[3-[amino(ethyl)sulfamoyl]propyl]acridin-10-ium-9-carboxylate CAS Name: 10-[3-[amino(ethyl)sulfamoyl]propyl]-9-acridin-10-iumcarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 10-[3-[amino(ethyl)sulfamoyl]propyl]acridin-10-ium-9-carboxylate Traditional Name: 10-[3-[amino(ethyl)sulfamoyl]propyl]acridin-10-ium-9-carboxylic acid (2,6-dimethylphenyl) ester Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(N)S(=O)(=O)CCC[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=C(C=CC=C4C)C

Isomeric SMILES

CCN(N)S(=O)(=O)CCC[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=C(C=CC=C4C)C

InChI

InChI=1S/C27H29N3O4S/c1-4-30(28)35(32,33)18-10-17-29-23-15-7-5-13-21(23)25(22-14-6-8-16-24(22)29)27(31)34-26-19(2)11-9-12-20(26)3/h5-9,11-16,28H,4,10,17-18H2,1-3H3/p+1