3-chloranyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 3-chloro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 3-chloro-N-[[1-[(4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-chloro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 3-chloro-N-[(1-p-anisylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Formula: C20H26ClN2O3S+ MolecularWeight: 409.95004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25ClN2O3S/c1-26-19-7-5-17(6-8-19)15-23-11-9-16(10-12-23)14-22-27(24,25)20-4-2-3-18(21)13-20/h2-8,13,16,22H,9-12,14-15H2,1H3/p+1