(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-m-anisyl-methyl-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)CC2=CC(=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-4-24-18(22)16-15(14(9-19)17(20)25-16)11-21(2)10-12-6-5-7-13(8-12)23-3/h5-8H,4,10-11,20H2,1-3H3/p+1