2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-methylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-methylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-mesyl-1-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C24H32N7O5S+ MolecularWeight: 530.61978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)S(=O)(=O)C)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)S(=O)(=O)C)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H31N7O5S/c1-17-11-23(28-24(27-17)29-8-7-26-16-29)31(15-18-5-6-20(35-2)21(12-18)36-3)10-9-30(37(4,33)34)14-19(31)13-22(25)32/h5-8,11-12,16,19H,9-10,13-15H2,1-4H3,(H-,25,32)/p+1