[1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-methoxy-2-oxidanylidene-ethyl)azanium

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-methoxy-2-oxidanylidene-ethyl)azanium Openeye Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-piperidyl]-(2-methoxy-2-oxo-ethyl)ammonium CAS Name: [1-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-piperidinyl]-(2-methoxy-2-oxoethyl)ammonium IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-methoxy-2-oxoethyl)azanium Traditional Name: (2-keto-2-methoxy-ethyl)-[1-[4-(piperonylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O5/c1-29-22(27)14-24-18-8-10-26(11-9-18)19-5-3-17(4-6-19)23(28)25-13-16-2-7-20-21(12-16)31-15-30-20/h2-7,12,18,24H,8-11,13-15H2,1H3,(H,25,28)/p+1