1-[(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H24N4O3/c1-12(21-9-7-14(8-10-21)15(18)22)16(23)20-17(24)19-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H2,18,22)(H2,19,20,23,24)/p+1/t12-/m0/s1