3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: 3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide CAS Name: 3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(1-tetrazolyl)benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide Formula: C20H25N6O2S+ MolecularWeight: 413.5165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)N4C=NN=N4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)N4C=NN=N4

InChI

InChI=1S/C20H24N6O2S/c1-16-13-19(7-8-20(16)26-15-21-23-24-26)29(27,28)22-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,15,18,22H,9-12,14H2,1H3/p+1