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

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

Systemtic Name:(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium
Openeye Name:(5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium
CAS Name:(5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium
IUPAC Name:(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium
Traditional Name:(5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(4-isopropylbenzyl)-methyl-ammonium
Formula: C20H26N3O2S+
MolecularWeight: 372.50434
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H25N3O2S/c1-5-25-20(24)18-17(16(10-21)19(22)26-18)12-23(4)11-14-6-8-15(9-7-14)13(2)3/h6-9,13H,5,11-12,22H2,1-4H3/p+1


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