1-[2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-imidazol-2-yl]sulfanylethyl]piperidin-1-ium

Systemtic Name: 1-[2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-imidazol-2-yl]sulfanylethyl]piperidin-1-ium Openeye Name: 1-[2-[5-phenyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]sulfanylethyl]piperidin-1-ium CAS Name: 1-[2-[[1-[[(2S)-2-oxolanyl]methyl]-5-phenyl-2-imidazolyl]thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylethyl]piperidin-1-ium Traditional Name: 1-[2-[[5-phenyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]thio]ethyl]piperidin-1-ium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC=C(N2C[C@@H]3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H29N3OS/c1-3-8-18(9-4-1)20-16-22-21(24(20)17-19-10-7-14-25-19)26-15-13-23-11-5-2-6-12-23/h1,3-4,8-9,16,19H,2,5-7,10-15,17H2/p+1/t19-/m0/s1