[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Formula: C17H25N3O3+2 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H23N3O3/c21-17(14-2-1-5-18-14)20-8-6-19(7-9-20)11-13-3-4-15-16(10-13)23-12-22-15/h3-4,10,14,18H,1-2,5-9,11-12H2/p+2/t14-/m0/s1