(3S)-1-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl]piperidin-1-ium-3-carboxamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C17H25N3O3/c1-12(20-9-3-4-14(11-20)16(18)21)17(22)19-10-13-5-7-15(23-2)8-6-13/h5-8,12,14H,3-4,9-11H2,1-2H3,(H2,18,21)(H,19,22)/p+1/t12-,14+/m1/s1