[2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]amino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]amino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]amino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH2+]C2CCCCCCC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH2+]C2CCCCCCC2)CC3=CC=CS3)C

InChI

InChI=1S/C22H30N4OS/c1-16-17(2)26(15-19-11-8-12-28-19)22(20(16)13-23)25-21(27)14-24-18-9-6-4-3-5-7-10-18/h8,11-12,18,24H,3-7,9-10,14-15H2,1-2H3,(H,25,27)/p+1