(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-methyl-(2-phenoxyethyl)ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CCOC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S/c1-3-23-18(22)16-15(14(11-19)17(20)25-16)12-21(2)9-10-24-13-7-5-4-6-8-13/h4-8H,3,9-10,12,20H2,1-2H3/p+1