(3R)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-(o-anisylamino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-28-20-12-6-5-8-17(20)14-23-21(26)16-25-13-7-9-18(15-25)22(27)24-19-10-3-2-4-11-19/h2-6,8,10-12,18H,7,9,13-16H2,1H3,(H,23,26)(H,24,27)/p+1/t18-/m1/s1