(3S)-3-methoxy-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-methoxy-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperidin-1-ium Openeye Name: (3S)-1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-3-methoxy-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]piperidin-1-ium IUPAC Name: (3S)-1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-3-methoxy-piperidin-1-ium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCCC(C3)OC

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)OC

InChI

InChI=1S/C21H31N3O3S/c1-17(2)13-24-19(14-23-11-7-10-20(15-23)27-3)12-22-21(24)28(25,26)16-18-8-5-4-6-9-18/h4-6,8-9,12,17,20H,7,10-11,13-16H2,1-3H3/p+1/t20-/m0/s1