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

Systemtic Name: [(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-benzyl-2-oxo-ethyl]ammonium CAS Name: [(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1R)-1-benzyl-2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C21H27N3O3+2 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C(CC4=CC=CC=C4)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)[C@@H](CC4=CC=CC=C4)[NH3+]

InChI

InChI=1S/C21H25N3O3/c22-18(12-16-4-2-1-3-5-16)21(25)24-10-8-23(9-11-24)14-17-6-7-19-20(13-17)27-15-26-19/h1-7,13,18H,8-12,14-15,22H2/p+2/t18-/m1/s1