[2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-methoxy-N-(2-thienylmethyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-keto-2-[4-methoxy-N-(2-thenyl)anilino]ethyl]-methyl-ammonium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)N(CC2=CC=CS2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N(CC2=CC=CS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N2O2S/c1-23(15-18-7-4-3-5-8-18)17-22(25)24(16-21-9-6-14-27-21)19-10-12-20(26-2)13-11-19/h3-14H,15-17H2,1-2H3/p+1