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

Systemtic Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C15H23N3O3+2 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C15H21N3O3/c1-11(16)15(19)18-6-4-17(5-7-18)9-12-2-3-13-14(8-12)21-10-20-13/h2-3,8,11H,4-7,9-10,16H2,1H3/p+2/t11-/m0/s1