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

Systemtic Name: [(2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCCC3CO

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-2-28(26,27)21-22-15-20(16-23-13-7-6-12-19(23)17-25)24(21)14-8-11-18-9-4-3-5-10-18/h3-5,9-10,15,19,25H,2,6-8,11-14,16-17H2,1H3/p+1/t19-/m0/s1