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

Systemtic Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=CC=CO2)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=CC=CO2)C3CCCCC3)C

InChI

InChI=1S/C21H28N4O2/c1-15-16(2)25(17-8-5-4-6-9-17)21(19(15)12-22)23-20(26)14-24(3)13-18-10-7-11-27-18/h7,10-11,17H,4-6,8-9,13-14H2,1-3H3,(H,23,26)/p+1