N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]propane-2-sulfonamide

Systemtic Name: N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]propane-2-sulfonamide Openeye Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]propane-2-sulfonamide CAS Name: N-[1-[3-(4-acetylphenoxy)propyl]-1-pyrrolidin-1-iumyl]-2-propanesulfonamide IUPAC Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]propane-2-sulfonamide Traditional Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]propane-2-sulfonamide Formula: C18H29N2O4S+ MolecularWeight: 369.49886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C)S(=O)(=O)N[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C18H29N2O4S/c1-15(2)25(22,23)19-20(11-4-5-12-20)13-6-14-24-18-9-7-17(8-10-18)16(3)21/h7-10,15,19H,4-6,11-14H2,1-3H3/q+1