[2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-[(4-benzoxy-3-methoxy-benzyl)-methyl-amino]-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)N(C)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC(=O)N(C)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H30N2O3/c1-20(23-12-8-5-9-13-23)27-17-26(29)28(2)18-22-14-15-24(25(16-22)30-3)31-19-21-10-6-4-7-11-21/h4-16,20,27H,17-19H2,1-3H3/p+1/t20-/m1/s1