1,3-benzodioxol-5-ylmethyl-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N3O3S/c1-25(12-16-8-9-19-20(11-16)29-15-28-19)14-22(27)26-10-4-5-17(13-26)23-24-18-6-2-3-7-21(18)30-23/h2-3,6-9,11,17H,4-5,10,12-15H2,1H3/p+1/t17-/m1/s1