(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-methyl-piperonyl-ammonium Formula: C18H20N3O4S+ MolecularWeight: 374.4341

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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=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O4S/c1-3-23-18(22)16-13(12(7-19)17(20)26-16)9-21(2)8-11-4-5-14-15(6-11)25-10-24-14/h4-6H,3,8-10,20H2,1-2H3/p+1