N-[4-[(3S)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(3S)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl]ethanamide Openeye Name: N-[4-[(3S)-2,5-dioxo-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl]acetamide CAS Name: N-[4-[(3S)-2,5-dioxo-3-(1-piperidin-1-iumyl)-1-pyrrolidinyl]phenyl]acetamide IUPAC Name: N-[4-[(3S)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]phenyl]acetamide Traditional Name: N-[4-[(3S)-2,5-diketo-3-piperidin-1-ium-1-yl-pyrrolidino]phenyl]acetamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C17H21N3O3/c1-12(21)18-13-5-7-14(8-6-13)20-16(22)11-15(17(20)23)19-9-3-2-4-10-19/h5-8,15H,2-4,9-11H2,1H3,(H,18,21)/p+1/t15-/m0/s1