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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

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