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

Systemtic Name: 1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(4-benzoxy-3-methoxy-benzyl)-methyl-amino]-2-keto-ethyl]piperidin-1-ium-4-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+]3CCC(CC3)C(=O)N

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

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