N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C25H35N6O+ MolecularWeight: 435.585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)C4CCCCC4)C

InChI

InChI=1S/C25H34N6O/c1-19-20(2)31(22-9-4-3-5-10-22)25(23(19)16-26)28-24(32)18-30-14-12-29(13-15-30)17-21-8-6-7-11-27-21/h6-8,11,22H,3-5,9-10,12-15,17-18H2,1-2H3,(H,28,32)/p+1