[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-[(4-ethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)[C@H](C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H21N3O2S/c1-4-23-16-7-5-14(6-8-16)12-21(3)13(2)17(22)20-18-15(11-19)9-10-24-18/h5-10,13H,4,12H2,1-3H3,(H,20,22)/p+1/t13-/m1/s1