[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-cyclopropyl-[(4-isopropylphenyl)methyl]ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-cyclopropyl-(4-isopropylbenzyl)ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=CS2)C#N)C3CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=CS2)C#N)C3CC3

InChI

InChI=1S/C20H23N3OS/c1-14(2)16-5-3-15(4-6-16)12-23(18-7-8-18)13-19(24)22-20-17(11-21)9-10-25-20/h3-6,9-10,14,18H,7-8,12-13H2,1-2H3,(H,22,24)/p+1