phenethylsulfonyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]azanide

Systemtic Name: phenethylsulfonyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]azanide Openeye Name: phenethylsulfonyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]azanide CAS Name: phenethylsulfonyl-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]azanide IUPAC Name: phenethylsulfonyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]azanide Traditional Name: phenethylsulfonyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]azanide Formula: C18H24N2O2S2 MolecularWeight: 364.52536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C[N-]S(=O)(=O)CCC2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C[N-]S(=O)(=O)CCC2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C18H23N2O2S2/c21-24(22,13-9-16-6-2-1-3-7-16)19-14-18(17-8-12-23-15-17)20-10-4-5-11-20/h1-3,6-8,12,15,18H,4-5,9-11,13-14H2/q-1/p+1/t18-/m0/s1