2-[(3R,4S)-3-ethyl-1-(phenylmethyl)piperidin-4-yl]ethanal

Systemtic Name: 2-[(3R,4S)-3-ethyl-1-(phenylmethyl)piperidin-4-yl]ethanal Openeye Name: 2-[(3R,4S)-1-benzyl-3-ethyl-4-piperidyl]acetaldehyde CAS Name: 2-[(3R,4S)-3-ethyl-1-(phenylmethyl)-4-piperidinyl]acetaldehyde IUPAC Name: 2-[(3R,4S)-1-benzyl-3-ethylpiperidin-4-yl]acetaldehyde Traditional Name: 2-[(3R,4S)-1-benzyl-3-ethyl-4-piperidyl]acetaldehyde Formula: C16H23NO MolecularWeight: 245.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC=O)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H]1CN(CC[C@H]1CC=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H23NO/c1-2-15-13-17(10-8-16(15)9-11-18)12-14-6-4-3-5-7-14/h3-7,11,15-16H,2,8-10,12-13H2,1H3/t15-,16-/m0/s1