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

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-methyl-piperonyl-ammonium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC3=C(C=C2)OCO3)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC3=C(C=C2)OCO3)C(=O)NC)N

InChI

InChI=1S/C19H23N3O5S/c1-4-25-19(24)15-12(16(18(23)21-2)28-17(15)20)9-22(3)8-11-5-6-13-14(7-11)27-10-26-13/h5-7H,4,8-10,20H2,1-3H3,(H,21,23)/p+1