1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidyl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidinyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidino]methyl]-2-thienyl]ethanone Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN2CCCC(C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N2O3S/c1-13(22)19-7-14(11-25-19)9-21-6-2-3-16(10-21)20-15-4-5-17-18(8-15)24-12-23-17/h4-5,7-8,11,16,20H,2-3,6,9-10,12H2,1H3/t16-/m0/s1