[(3S)-1-(4-ethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-bis(3-methylbutyl)azanium

Systemtic Name: [(3S)-1-(4-ethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-bis(3-methylbutyl)azanium Openeye Name: [(3S)-1-(4-ethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]-diisopentyl-ammonium CAS Name: [(3S)-1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-bis(3-methylbutyl)ammonium IUPAC Name: [(3S)-1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-bis(3-methylbutyl)azanium Traditional Name: [(3S)-1-(4-ethylphenyl)-2,5-diketo-pyrrolidin-3-yl]-diisoamyl-ammonium Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+](CCC(C)C)CCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+](CCC(C)C)CCC(C)C

InChI

InChI=1S/C22H34N2O2/c1-6-18-7-9-19(10-8-18)24-21(25)15-20(22(24)26)23(13-11-16(2)3)14-12-17(4)5/h7-10,16-17,20H,6,11-15H2,1-5H3/p+1/t20-/m0/s1