(3R,4S,6S)-6-methyl-4-(nitromethyl)-1-(phenylmethyl)-3-prop-2-enyl-piperidine-2-thione

Systemtic Name: (3R,4S,6S)-6-methyl-4-(nitromethyl)-1-(phenylmethyl)-3-prop-2-enyl-piperidine-2-thione Openeye Name: (3R,4S,6S)-3-allyl-1-benzyl-6-methyl-4-(nitromethyl)piperidine-2-thione CAS Name: (3R,4S,6S)-6-methyl-4-(nitromethyl)-1-(phenylmethyl)-3-prop-2-enyl-2-piperidinethione IUPAC Name: (3R,4S,6S)-1-benzyl-6-methyl-4-(nitromethyl)-3-prop-2-enylpiperidine-2-thione Traditional Name: (3R,4S,6S)-3-allyl-1-benzyl-6-methyl-4-(nitromethyl)piperidine-2-thione Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(=S)N1CC2=CC=CC=C2)CC=C)C[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](C(=S)N1CC2=CC=CC=C2)CC=C)C[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O2S/c1-3-7-16-15(12-19(20)21)10-13(2)18(17(16)22)11-14-8-5-4-6-9-14/h3-6,8-9,13,15-16H,1,7,10-12H2,2H3/t13-,15+,16+/m0/s1