4-methoxy-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-methoxy-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzenesulfonamide Openeye Name: 4-methoxy-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: 4-methoxy-3-methyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide Traditional Name: 4-methoxy-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C18H25N2O3S2+ MolecularWeight: 381.5327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CSC=C2)[NH+]3CCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H](C2=CSC=C2)[NH+]3CCCC3)OC

InChI

InChI=1S/C18H24N2O3S2/c1-14-11-16(5-6-18(14)23-2)25(21,22)19-12-17(15-7-10-24-13-15)20-8-3-4-9-20/h5-7,10-11,13,17,19H,3-4,8-9,12H2,1-2H3/p+1/t17-/m1/s1