(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)propan-1-one Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)propan-1-one CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)propan-1-one Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-pyrrolidin-1-ium-1-ylpiperidino)propan-1-one Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)[NH+]2CCCC2)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)[NH+]2CCCC2)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H26N2O4/c1-14(25-16-4-5-17-18(12-16)24-13-23-17)19(22)21-10-6-15(7-11-21)20-8-2-3-9-20/h4-5,12,14-15H,2-3,6-11,13H2,1H3/p+1/t14-/m0/s1