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

Systemtic Name: 1-[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone Openeye Name: 1-[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone CAS Name: 1-[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-3-piperidin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone Traditional Name: 1-[(3S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCC(C3)C(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)C(=O)C

InChI

InChI=1S/C22H31N3O3S/c1-3-29(27,28)22-23-15-21(17-24-13-8-12-20(16-24)18(2)26)25(22)14-7-11-19-9-5-4-6-10-19/h4-6,9-10,15,20H,3,7-8,11-14,16-17H2,1-2H3/p+1/t20-/m0/s1