1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(o-anisylamino)ethyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1OC)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H25N3O3/c1-12(20-9-7-13(8-10-20)16(18)21)17(22)19-11-14-5-3-4-6-15(14)23-2/h3-6,12-13H,7-11H2,1-2H3,(H2,18,21)(H,19,22)/p+1/t12-/m1/s1