cyclohexyl-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-azanium

Systemtic Name: cyclohexyl-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-azanium Openeye Name: cyclohexyl-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-ammonium CAS Name: cyclohexyl-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]-methylammonium IUPAC Name: cyclohexyl-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium Traditional Name: [(3S)-1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]-cyclohexyl-methyl-ammonium Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+](C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+](C)C3CCCCC3

InChI

InChI=1S/C20H26N2O4/c1-3-26-20(25)14-9-11-16(12-10-14)22-18(23)13-17(19(22)24)21(2)15-7-5-4-6-8-15/h9-12,15,17H,3-8,13H2,1-2H3/p+1/t17-/m0/s1