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

Systemtic Name: (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidin-1-ium Openeye Name: (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidin-1-ium CAS Name: (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-2-(methoxymethyl)piperidin-1-ium IUPAC Name: (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidin-1-ium Traditional Name: (2S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidin-1-ium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCCC3COC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCC[C@H]3COC

InChI

InChI=1S/C22H33N3O3S/c1-3-29(26,27)22-23-16-21(17-24-14-8-7-13-20(24)18-28-2)25(22)15-9-12-19-10-5-4-6-11-19/h4-6,10-11,16,20H,3,7-9,12-15,17-18H2,1-2H3/p+1/t20-/m0/s1