(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[(1S)-2-methyl-1-p-cumenyl-propyl]ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+]C(C2=CC=C(C=C2)C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+][C@H](C2=CC=C(C=C2)C(C)C)C(C)C

InChI

InChI=1S/C22H29N3O2S/c1-6-27-22(26)20-18(17(11-23)21(24)28-20)12-25-19(14(4)5)16-9-7-15(8-10-16)13(2)3/h7-10,13-14,19,25H,6,12,24H2,1-5H3/p+1/t19-/m0/s1