1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-1-(3-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C18H16BrN2O4+ MolecularWeight: 404.23464

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Br)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1[C@@H](C(=O)N(C1=O)C2=CC(=CC=C2)Br)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15BrN2O4/c19-12-2-1-3-13(7-12)21-17(22)8-14(18(21)23)20-9-11-4-5-15-16(6-11)25-10-24-15/h1-7,14,20H,8-10H2/p+1/t14-/m0/s1