N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(1-cyclopropyl-4-piperidin-1-iumyl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C15H22N3O4S+ MolecularWeight: 340.41788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CC[NH+](CC2)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CC[NH+](CC2)C3CC3

InChI

InChI=1S/C15H21N3O4S/c1-11-2-3-14(18(19)20)10-15(11)23(21,22)16-12-6-8-17(9-7-12)13-4-5-13/h2-3,10,12-13,16H,4-9H2,1H3/p+1