(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-[2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-[2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-methyl-[2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]ammonium CAS Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]ammonium IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[2-keto-2-[[2-keto-2-(methylamino)ethyl]amino]ethyl]-methyl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)C[NH+](C)CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Isomeric SMILES

CNC(=O)CNC(=O)C[NH+](C)CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H27N3O4/c1-22-20(25)12-23-21(26)14-24(2)13-17-9-10-18(19(11-17)27-3)28-15-16-7-5-4-6-8-16/h4-11H,12-15H2,1-3H3,(H,22,25)(H,23,26)/p+1