(5-azanyl-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl)methyl-dimethyl-azanium

Systemtic Name: (5-azanyl-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl)methyl-dimethyl-azanium Openeye Name: (5-amino-4-ethoxycarbonyl-3-phenyl-2-thienyl)methyl-dimethyl-ammonium CAS Name: (5-amino-4-ethoxycarbonyl-3-phenyl-2-thiophenyl)methyl-dimethylammonium IUPAC Name: (5-amino-4-ethoxycarbonyl-3-phenylthiophen-2-yl)methyl-dimethylazanium Traditional Name: (5-amino-4-carbethoxy-3-phenyl-2-thienyl)methyl-dimethyl-ammonium Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C[NH+](C)C)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C[NH+](C)C)N

InChI

InChI=1S/C16H20N2O2S/c1-4-20-16(19)14-13(11-8-6-5-7-9-11)12(10-18(2)3)21-15(14)17/h5-9H,4,10,17H2,1-3H3/p+1