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

Systemtic Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-2-phenyl-ethyl]ammonium CAS Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c22-19(12-17-4-2-1-3-5-17)15-24-10-8-23(9-11-24)14-18-6-7-20-21(13-18)26-16-25-20/h1-7,13,19H,8-12,14-16,22H2/p+2/t19-/m0/s1