3-chloranyl-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-chloro-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-methoxy-benzenesulfonamide CAS Name: 3-chloro-N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-chloro-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-methoxybenzenesulfonamide Traditional Name: 3-chloro-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-methoxy-benzenesulfonamide Formula: C18H28ClN2O3S+ MolecularWeight: 387.94452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)Cl

InChI

InChI=1S/C18H27ClN2O3S/c1-24-18-7-6-16(12-17(18)19)25(22,23)20-13-14-8-10-21(11-9-14)15-4-2-3-5-15/h6-7,12,14-15,20H,2-5,8-11,13H2,1H3/p+1