N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C25H35N6O+ MolecularWeight: 435.585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)C

InChI

InChI=1S/C25H34N6O/c1-18(2)25-27-21(5)16-23(28-25)30-13-11-29(12-14-30)17-24(32)31(10-6-9-26)22-8-7-19(3)20(4)15-22/h7-8,15-16,18H,6,10-14,17H2,1-5H3/p+1