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

Systemtic Name: [2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[(4-benzoxy-3-methoxy-benzyl)amino]-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H26N2O3S/c1-25(15-20-9-6-12-29-20)16-23(26)24-14-19-10-11-21(22(13-19)27-2)28-17-18-7-4-3-5-8-18/h3-13H,14-17H2,1-2H3,(H,24,26)/p+1