5-chloranyl-2-methoxy-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5-chloro-2-methoxy-benzenesulfonamide CAS Name: 5-chloro-2-methoxy-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5-chloro-2-methoxy-benzenesulfonamide Formula: C20H26ClN2O3S+ MolecularWeight: 409.95004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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