[(3S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone CAS Name: [(3S)-1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-3-piperidin-1-iumyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone Formula: C20H30N3O3S2+ MolecularWeight: 424.6005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCC(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H29N3O3S2/c1-3-5-11-23-17(13-21-20(23)28(25,26)4-2)15-22-10-6-8-16(14-22)19(24)18-9-7-12-27-18/h7,9,12-13,16H,3-6,8,10-11,14-15H2,1-2H3/p+1/t16-/m0/s1