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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-2,5-dioxo-1-(p-tolyl)pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-2,5-diketo-1-(p-tolyl)pyrrolidin-3-yl]-piperonyl-ammonium Formula: C19H19N2O4+ MolecularWeight: 339.36516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O4/c1-12-2-5-14(6-3-12)21-18(22)9-15(19(21)23)20-10-13-4-7-16-17(8-13)25-11-24-16/h2-8,15,20H,9-11H2,1H3/p+1/t15-/m0/s1