4-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Formula: C16H18N3O5+ MolecularWeight: 332.33122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C=O

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C=O

InChI

InChI=1S/C16H17N3O5/c20-9-17-3-5-18(6-4-17)12-8-15(21)19(16(12)22)11-1-2-13-14(7-11)24-10-23-13/h1-2,7,9,12H,3-6,8,10H2/p+1/t12-/m0/s1