(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(1R)-1-naphthalen-1-ylethyl]azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(1R)-1-(1-naphthyl)ethyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(1R)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[(1R)-1-(1-naphthyl)ethyl]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[NH2+]C(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+][C@H](C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O2S/c1-3-26-21(25)19-18(17(11-22)20(23)27-19)12-24-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,24H,3,12,23H2,1-2H3/p+1/t13-/m1/s1