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

Systemtic Name: [2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(4-benzoxy-3-methoxy-benzyl)-methyl-amino]-2-keto-ethyl]-benzyl-methyl-ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)N(C)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N(C)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H30N2O3/c1-27(17-21-10-6-4-7-11-21)19-26(29)28(2)18-23-14-15-24(25(16-23)30-3)31-20-22-12-8-5-9-13-22/h4-16H,17-20H2,1-3H3/p+1