N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C24H34N6O+2 MolecularWeight: 422.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4CCCCC4)C

InChI

InChI=1S/C24H32N6O/c1-18-19(2)30(20-8-4-3-5-9-20)24(21(18)16-25)27-23(31)17-28-12-14-29(15-13-28)22-10-6-7-11-26-22/h6-7,10-11,20H,3-5,8-9,12-15,17H2,1-2H3,(H,27,31)/p+2