(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C21H27N3O2S/c1-5-14-7-9-15(10-8-14)18(13(3)4)24-12-17-16(11-22)20(23)27-19(17)21(25)26-6-2/h7-10,13,18,24H,5-6,12,23H2,1-4H3/p+1/t18-/m0/s1