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

Systemtic Name: (2S)-4-(2-methoxyethanoyl)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxo-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-(2-methoxy-1-oxoethyl)-1-[oxo(4-piperidin-1-iumyl)methyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-keto-3-piperidyl]-4-(2-methoxyacetyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C19H32N5O5+ MolecularWeight: 410.48788

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCN(C(C1)C(=O)NC2CCCNC2=O)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

COCC(=O)N1CCN([C@@H](C1)C(=O)N[C@H]2CCCNC2=O)C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C19H31N5O5/c1-29-12-16(25)23-9-10-24(19(28)13-4-7-20-8-5-13)15(11-23)18(27)22-14-3-2-6-21-17(14)26/h13-15,20H,2-12H2,1H3,(H,21,26)(H,22,27)/p+1/t14-,15-/m0/s1