(3R)-1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[(4-benzoxy-3-methoxy-benzyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCCC(C2)C(=O)N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCC[C@H](C2)C(=O)N)OCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4/c1-29-21-12-18(9-10-20(21)30-16-17-6-3-2-4-7-17)13-25-22(27)15-26-11-5-8-19(14-26)23(24)28/h2-4,6-7,9-10,12,19H,5,8,11,13-16H2,1H3,(H2,24,28)(H,25,27)/p+1/t19-/m1/s1