[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1-dimethyl-2-oxo-ethyl]ammonium CAS Name: [1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-methyl-1-oxopropan-2-yl]ammonium IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]azanium Traditional Name: [2-keto-1,1-dimethyl-2-(4-piperonylpiperazino)ethyl]ammonium Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C16H23N3O3/c1-16(2,17)15(20)19-7-5-18(6-8-19)10-12-3-4-13-14(9-12)22-11-21-13/h3-4,9H,5-8,10-11,17H2,1-2H3/p+1