(2R)-2-[(2R,4R)-2-ethyl-2-(3-isothiocyanatophenyl)-1,3-dioxolan-4-yl]piperidine

Systemtic Name: (2R)-2-[(2R,4R)-2-ethyl-2-(3-isothiocyanatophenyl)-1,3-dioxolan-4-yl]piperidine Openeye Name: (2R)-2-[(2R,4R)-2-ethyl-2-(3-isothiocyanatophenyl)-1,3-dioxolan-4-yl]piperidine CAS Name: (2R)-2-[(2R,4R)-2-ethyl-2-(3-isothiocyanatophenyl)-1,3-dioxolan-4-yl]piperidine IUPAC Name: (2R)-2-[(2R,4R)-2-ethyl-2-(3-isothiocyanatophenyl)-1,3-dioxolan-4-yl]piperidine Traditional Name: (2R)-2-[(2R,4R)-2-ethyl-2-(3-isothiocyanatophenyl)-1,3-dioxolan-4-yl]piperidine Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OCC(O1)C2CCCCN2)C3=CC(=CC=C3)N=C=S

Isomeric SMILES

CC[C@]1(OC[C@H](O1)[C@H]2CCCCN2)C3=CC(=CC=C3)N=C=S

InChI

InChI=1S/C17H22N2O2S/c1-2-17(13-6-5-7-14(10-13)19-12-22)20-11-16(21-17)15-8-3-4-9-18-15/h5-7,10,15-16,18H,2-4,8-9,11H2,1H3/t15-,16+,17-/m1/s1