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

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium Openeye Name: [2-[[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]amino]-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]amino]-2-oxoethyl]-cyclohexyl-methylammonium IUPAC Name: [2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: [2-[[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]amino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)C2CCCCC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)C2CCCCC2)CC3=CC=CS3)C

InChI

InChI=1S/C21H28N4OS/c1-15-16(2)25(13-18-10-7-11-27-18)21(19(15)12-22)23-20(26)14-24(3)17-8-5-4-6-9-17/h7,10-11,17H,4-6,8-9,13-14H2,1-3H3,(H,23,26)/p+1