10-[4-(aminomethyl)-3-chloranylsulfonyl-2,6-dimethoxy-phenyl]acridin-10-ium-9-carboxylic acid

Systemtic Name: 10-[4-(aminomethyl)-3-chloranylsulfonyl-2,6-dimethoxy-phenyl]acridin-10-ium-9-carboxylic acid Openeye Name: 10-[4-(aminomethyl)-3-chlorosulfonyl-2,6-dimethoxy-phenyl]acridin-10-ium-9-carboxylic acid CAS Name: 10-[4-(aminomethyl)-3-chlorosulfonyl-2,6-dimethoxyphenyl]-9-acridin-10-iumcarboxylic acid IUPAC Name: 10-[4-(aminomethyl)-3-chlorosulfonyl-2,6-dimethoxyphenyl]acridin-10-ium-9-carboxylic acid Traditional Name: 10-[4-(aminomethyl)-3-chlorosulfonyl-2,6-dimethoxy-phenyl]acridin-10-ium-9-carboxylic acid Formula: C23H20ClN2O6S+ MolecularWeight: 487.9327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN)S(=O)(=O)Cl)OC)[N+]2=C3C=CC=CC3=C(C4=CC=CC=C42)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN)S(=O)(=O)Cl)OC)[N+]2=C3C=CC=CC3=C(C4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C23H19ClN2O6S/c1-31-18-11-13(12-25)22(33(24,29)30)21(32-2)20(18)26-16-9-5-3-7-14(16)19(23(27)28)15-8-4-6-10-17(15)26/h3-11H,12,25H2,1-2H3/p+1