1-[(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]ethanone

Systemtic Name: 1-[(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]ethanone Openeye Name: 1-[(3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]ethanone CAS Name: 1-[(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-3-piperidin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-3-yl]ethanone Traditional Name: 1-[(3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]ethanone Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC(C3)C(=O)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)C(=O)C

InChI

InChI=1S/C22H31N3O3S/c1-17(2)29(27,28)22-23-14-21(16-24-12-7-10-20(15-24)18(3)26)25(22)13-11-19-8-5-4-6-9-19/h4-6,8-9,14,17,20H,7,10-13,15-16H2,1-3H3/p+1/t20-/m0/s1