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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(2,5-diketo-1-piperonyl-pyrrolidin-3-yl)-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C23H32N4O5+2 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)C3CC(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)C3CC(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C23H30N4O5/c24-22(30)23(26-8-2-1-3-9-26)6-10-25(11-7-23)17-13-20(28)27(21(17)29)14-16-4-5-18-19(12-16)32-15-31-18/h4-5,12,17H,1-3,6-11,13-15H2,(H2,24,30)/p+2