1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-piperidinoanilino)ethyl]-methyl-piperonyl-ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C22H27N3O3/c1-24(14-17-5-10-20-21(13-17)28-16-27-20)15-22(26)23-18-6-8-19(9-7-18)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,23,26)/p+1