4-[(2S)-butan-2-yl]-N-(1-cyclopropylpiperidin-1-ium-4-yl)benzenesulfonamide

Systemtic Name: 4-[(2S)-butan-2-yl]-N-(1-cyclopropylpiperidin-1-ium-4-yl)benzenesulfonamide Openeye Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-4-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: 4-[(2S)-butan-2-yl]-N-(1-cyclopropyl-4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 4-[(2S)-butan-2-yl]-N-(1-cyclopropylpiperidin-1-ium-4-yl)benzenesulfonamide Traditional Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-4-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C18H29N2O2S+ MolecularWeight: 337.50006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)C3CC3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)C3CC3

InChI

InChI=1S/C18H28N2O2S/c1-3-14(2)15-4-8-18(9-5-15)23(21,22)19-16-10-12-20(13-11-16)17-6-7-17/h4-5,8-9,14,16-17,19H,3,6-7,10-13H2,1-2H3/p+1/t14-/m0/s1