1,3-benzodioxol-5-ylmethyl-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-diketo-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C25H20N3O5+ MolecularWeight: 442.4434

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[NH2+]CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[NH2+]CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H19N3O5/c29-23-12-19(26-13-15-5-10-21-22(11-15)32-14-31-21)25(30)28(23)17-8-6-16(7-9-17)24-27-18-3-1-2-4-20(18)33-24/h1-11,19,26H,12-14H2/p+1