6-[3-[methyl(phenyl)amino]propylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[3-[methyl(phenyl)amino]propylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[3-(N-methylanilino)propylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[3-(N-methylanilino)propylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[3-(N-methylanilino)propylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[3-(N-methylanilino)propylamino]pyridin-1-ium-3-sulfonamide Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=[NH+]C=C(C=C1)S(=O)(=O)N)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC1=[NH+]C=C(C=C1)S(=O)(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C15H20N4O2S/c1-19(13-6-3-2-4-7-13)11-5-10-17-15-9-8-14(12-18-15)22(16,20)21/h2-4,6-9,12H,5,10-11H2,1H3,(H,17,18)(H2,16,20,21)/p+1