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

Systemtic Name: (3S)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-(p-anisylamino)ethyl]piperidin-1-ium-3-carboxamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C16H23N3O3/c1-22-14-6-4-12(5-7-14)9-18-15(20)11-19-8-2-3-13(10-19)16(17)21/h4-7,13H,2-3,8-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t13-/m0/s1