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

Systemtic Name: (3R)-1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[(4-benzoxy-3-methoxy-benzyl)-methyl-amino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C24H31N3O4/c1-26(23(28)16-27-12-6-9-20(15-27)24(25)29)14-19-10-11-21(22(13-19)30-2)31-17-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,20H,6,9,12,14-17H2,1-2H3,(H2,25,29)/p+1/t20-/m1/s1