N-[3-(acridin-9-ylamino)-5-(pyridin-1-ium-1-ylmethyl)phenyl]methanesulfonamide chloride

Systemtic Name: N-[3-(acridin-9-ylamino)-5-(pyridin-1-ium-1-ylmethyl)phenyl]methanesulfonamide chloride Openeye Name: N-[3-(acridin-9-ylamino)-5-(pyridin-1-ium-1-ylmethyl)phenyl]methanesulfonamide chloride CAS Name: N-[3-(9-acridinylamino)-5-(1-pyridin-1-iumylmethyl)phenyl]methanesulfonamide chloride IUPAC Name: N-[3-(acridin-9-ylamino)-5-(pyridin-1-ium-1-ylmethyl)phenyl]methanesulfonamide chloride Traditional Name: N-[3-(acridin-9-ylamino)-5-(pyridin-1-ium-1-ylmethyl)phenyl]methanesulfonamide chloride Formula: C26H23ClN4O2S MolecularWeight: 491.00442

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)C[N+]5=CC=CC=C5.[Cl-]

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)C[N+]5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H23N4O2S.ClH/c1-33(31,32)29-21-16-19(18-30-13-7-2-8-14-30)15-20(17-21)27-26-22-9-3-5-11-24(22)28-25-12-6-4-10-23(25)26;/h2-17,29H,18H2,1H3,(H,27,28);1H/q+1;/p-1