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

Systemtic Name: [(3S)-1-(4-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-phenethyl-azanium Openeye Name: [(3S)-1-(4-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-phenethyl-ammonium CAS Name: [(3S)-1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-phenethylammonium IUPAC Name: [(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-phenethylazanium Traditional Name: [(3S)-1-(4-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]-phenethyl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-2-3-15-27-19-11-9-18(10-12-19)24-21(25)16-20(22(24)26)23-14-13-17-7-5-4-6-8-17/h4-12,20,23H,2-3,13-16H2,1H3/p+1/t20-/m0/s1