[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]ammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=C(SC(=C2C(=O)OCC)N)C(=O)NC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=C(SC(=C2C(=O)OCC)N)C(=O)NC

InChI

InChI=1S/C22H31N3O3S/c1-6-14-8-10-15(11-9-14)18(13(3)4)25-12-16-17(22(27)28-7-2)20(23)29-19(16)21(26)24-5/h8-11,13,18,25H,6-7,12,23H2,1-5H3,(H,24,26)/p+1/t18-/m0/s1