N-[(3S,4R)-1-phenethyl-3-prop-2-enyl-piperidin-4-yl]-N-phenyl-propanamide hydrochloride

Systemtic Name: N-[(3S,4R)-1-phenethyl-3-prop-2-enyl-piperidin-4-yl]-N-phenyl-propanamide hydrochloride Openeye Name: N-[(3S,4R)-3-allyl-1-phenethyl-4-piperidyl]-N-phenyl-propanamide hydrochloride CAS Name: N-[(3S,4R)-1-phenethyl-3-prop-2-enyl-4-piperidinyl]-N-phenylpropanamide hydrochloride IUPAC Name: N-[(3S,4R)-1-phenethyl-3-prop-2-enylpiperidin-4-yl]-N-phenylpropanamide hydrochloride Traditional Name: N-[(3S,4R)-3-allyl-1-phenethyl-4-piperidyl]-N-phenyl-propionamide hydrochloride Formula: C25H33ClN2O MolecularWeight: 412.99532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1CC=C)CCC2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CCC(=O)N([C@@H]1CCN(C[C@@H]1CC=C)CCC2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C25H32N2O.ClH/c1-3-11-22-20-26(18-16-21-12-7-5-8-13-21)19-17-24(22)27(25(28)4-2)23-14-9-6-10-15-23;/h3,5-10,12-15,22,24H,1,4,11,16-20H2,2H3;1H/t22-,24+;/m0./s1