aminocarbonyl-[4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethyl-piperidin-1-ium-1-yl]carbonyl-ethyl-oxidanyl-azanium

Systemtic Name: aminocarbonyl-[4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethyl-piperidin-1-ium-1-yl]carbonyl-ethyl-oxidanyl-azanium Openeye Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethyl-piperidin-1-ium-1-carbonyl]-carbamoyl-ethyl-hydroxy-ammonium CAS Name: [[4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethyl-1-piperidin-1-iumyl]-oxomethyl]-carbamoyl-ethyl-hydroxyammonium IUPAC Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethylpiperidin-1-ium-1-carbonyl]-carbamoyl-ethyl-hydroxyazanium Traditional Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethyl-piperidin-1-ium-1-carbonyl]-carbamoyl-ethyl-hydroxy-ammonium Formula: C22H33N3O6S+2 MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)CS(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)[N+](CC)(C(=O)N)O

Isomeric SMILES

CC[N+]1(CCC(CC1)CS(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)[N+](CC)(C(=O)N)O

InChI

InChI=1S/C22H32N3O6S/c1-4-7-16-31-19-8-10-20(11-9-19)32(29,30)17-18-12-14-24(5-2,15-13-18)22(27)25(28,6-3)21(23)26/h8-11,18,28H,5-6,12-17H2,1-3H3,(H-,23,26)/q+1/p+1