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

Systemtic Name: [(3S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-morpholin-4-yl-methanone Openeye Name: [(3S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-morpholino-methanone CAS Name: [(3S)-1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-3-piperidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [(3S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-3-yl]-morpholin-4-ylmethanone Traditional Name: [(3S)-1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-morpholino-methanone Formula: C20H35N4O4S+ MolecularWeight: 427.5813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCC(C2)C(=O)N3CCOCC3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC[C@@H](C2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H34N4O4S/c1-3-5-9-24-18(14-21-20(24)29(26,27)4-2)16-22-8-6-7-17(15-22)19(25)23-10-12-28-13-11-23/h14,17H,3-13,15-16H2,1-2H3/p+1/t17-/m0/s1