1-[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-2-6-16(14-7-4-3-5-8-14)20-17(22)13-21-11-9-15(10-12-21)18(19)23/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H2,19,23)(H,20,22)/p+1/t16-/m1/s1