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

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-methyl-azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C26H29N3O4/c1-28(19-26(30)29(14-7-13-27)18-23-10-6-15-32-23)17-22-11-12-24(25(16-22)31-2)33-20-21-8-4-3-5-9-21/h3-6,8-12,15-16H,7,14,17-20H2,1-2H3/p+1