(3S)-3-methoxy-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-methoxy-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium Openeye Name: (3S)-3-methoxy-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium CAS Name: (3S)-3-methoxy-1-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]piperidin-1-ium IUPAC Name: (3S)-3-methoxy-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium Traditional Name: (3S)-1-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC[NH+](C1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CO[C@H]1CCC[NH+](C1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H29N3O3S/c1-26-19-11-7-12-22(16-19)15-18-14-21-20(27(2,24)25)23(18)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,19H,6-7,10-13,15-16H2,1-2H3/p+1/t19-/m0/s1