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

Systemtic Name: (3S)-1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Openeye Name: (3S)-1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-3-methoxypiperidin-1-ium IUPAC Name: (3S)-1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]-3-methoxy-piperidin-1-ium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCC(C3)OC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)OC

InChI

InChI=1S/C19H27N3O3S/c1-3-26(23,24)19-20-12-17(14-21-11-7-10-18(15-21)25-2)22(19)13-16-8-5-4-6-9-16/h4-6,8-9,12,18H,3,7,10-11,13-15H2,1-2H3/p+1/t18-/m0/s1