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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-methyl-(2-naphthylmethyl)ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-methyl-(2-naphthylmethyl)ammonium Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21N3O2S/c1-3-26-21(25)19-18(17(11-22)20(23)27-19)13-24(2)12-14-8-9-15-6-4-5-7-16(15)10-14/h4-10H,3,12-13,23H2,1-2H3/p+1