3-[(3R,4S)-3-ethyl-1-methyl-piperidin-4-yl]-6-(2-methylpropyl)-1,2-benzothiazole

Systemtic Name: 3-[(3R,4S)-3-ethyl-1-methyl-piperidin-4-yl]-6-(2-methylpropyl)-1,2-benzothiazole Openeye Name: 3-[(3R,4S)-3-ethyl-1-methyl-4-piperidyl]-6-isobutyl-1,2-benzothiazole CAS Name: 3-[(3R,4S)-3-ethyl-1-methyl-4-piperidinyl]-6-(2-methylpropyl)-1,2-benzothiazole IUPAC Name: 3-[(3R,4S)-3-ethyl-1-methylpiperidin-4-yl]-6-(2-methylpropyl)-1,2-benzothiazole Traditional Name: 3-[(3R,4S)-3-ethyl-1-methyl-4-piperidyl]-6-isobutyl-1,2-benzothiazole Formula: C19H28N2S MolecularWeight: 316.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1C2=NSC3=C2C=CC(=C3)CC(C)C)C

Isomeric SMILES

CC[C@H]1CN(CC[C@@H]1C2=NSC3=C2C=CC(=C3)CC(C)C)C

InChI

InChI=1S/C19H28N2S/c1-5-15-12-21(4)9-8-16(15)19-17-7-6-14(10-13(2)3)11-18(17)22-20-19/h6-7,11,13,15-16H,5,8-10,12H2,1-4H3/t15-,16-/m0/s1