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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-cyclopropyl-[(4-isopropylphenyl)methyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-cyclopropyl-(4-isopropylbenzyl)ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](CC2=CC=C(C=C2)C(C)C)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](CC2=CC=C(C=C2)C(C)C)C3CC3

InChI

InChI=1S/C22H27N3O2S/c1-4-27-22(26)20-19(18(11-23)21(24)28-20)13-25(17-9-10-17)12-15-5-7-16(8-6-15)14(2)3/h5-8,14,17H,4,9-10,12-13,24H2,1-3H3/p+1