4-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzenesulfonamide Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C19H24N2O3S/c1-24-18-8-10-19(11-9-18)25(22,23)20-14-16-4-6-17(7-5-16)15-21-12-2-3-13-21/h4-11,20H,2-3,12-15H2,1H3/p+1