(2S)-4-(2-methoxyethanoyl)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazin-1-ium-2-carboxamide

Systemtic Name: (2S)-4-(2-methoxyethanoyl)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazin-1-ium-2-carboxamide Openeye Name: (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxo-3-piperidyl]piperazin-1-ium-2-carboxamide CAS Name: (2S)-4-(2-methoxy-1-oxoethyl)-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazin-1-ium-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-keto-3-piperidyl]-4-(2-methoxyacetyl)piperazin-1-ium-2-carboxamide Formula: C13H23N4O4+ MolecularWeight: 299.34612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CC[NH2+]C(C1)C(=O)NC2CCCNC2=O

Isomeric SMILES

COCC(=O)N1CC[NH2+][C@@H](C1)C(=O)N[C@H]2CCCNC2=O

InChI

InChI=1S/C13H22N4O4/c1-21-8-11(18)17-6-5-14-10(7-17)13(20)16-9-3-2-4-15-12(9)19/h9-10,14H,2-8H2,1H3,(H,15,19)(H,16,20)/p+1/t9-,10-/m0/s1