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

Systemtic Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-bis(2-methoxyethyl)azanium Openeye Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-bis(2-methoxyethyl)ammonium CAS Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-bis(2-methoxyethyl)ammonium IUPAC Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-bis(2-methoxyethyl)azanium Traditional Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-bis(2-methoxyethyl)ammonium Formula: C21H35N4O3+ MolecularWeight: 391.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](CCOC)CCOC)C2CCCCC2)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](CCOC)CCOC)C2CCCCC2)C

InChI

InChI=1S/C21H34N4O3/c1-16-17(2)25(18-8-6-5-7-9-18)21(19(16)14-22)23-20(26)15-24(10-12-27-3)11-13-28-4/h18H,5-13,15H2,1-4H3,(H,23,26)/p+1