1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-2,5-diketo-1-piperonyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C2CC(=O)N(C2=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)[C@H]2CC(=O)N(C2=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O5/c19-17(23)12-3-5-20(6-4-12)13-8-16(22)21(18(13)24)9-11-1-2-14-15(7-11)26-10-25-14/h1-2,7,12-13H,3-6,8-10H2,(H2,19,23)/p+1/t13-/m0/s1