(E)-1-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-[methyl(phenethyl)amino]-1-piperidyl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-[methyl(phenethyl)amino]-1-piperidinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-[methyl(phenethyl)amino]piperidino]-3-(2-thienyl)prop-2-en-1-one Formula: C21H26N2OS MolecularWeight: 354.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H26N2OS/c1-22(15-13-18-7-3-2-4-8-18)19-9-5-14-23(17-19)21(24)12-11-20-10-6-16-25-20/h2-4,6-8,10-12,16,19H,5,9,13-15,17H2,1H3/b12-11+/t19-/m0/s1