[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-benzyl-methyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-benzyl-methylazanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-benzyl-methyl-ammonium Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-4-24-18(23)14-13(15(17(22)20-2)25-16(14)19)11-21(3)10-12-8-6-5-7-9-12/h5-9H,4,10-11,19H2,1-3H3,(H,20,22)/p+1