2-[1-(3,5-dimethyl-4-oxidanyl-phenyl)-4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(3,5-dimethyl-4-oxidanyl-phenyl)-4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1-(4-hydroxy-3,5-dimethyl-phenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-(4-hydroxy-3,5-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1-(4-hydroxy-3,5-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2,6-dipyrrolidinopyrimidin-4-yl)-1-(4-hydroxy-3,5-dimethyl-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C26H38N7O2+ MolecularWeight: 480.62562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)[N+]2(CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)N5CCCC5)CC(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[N+]2(CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)N5CCCC5)CC(=O)N

InChI

InChI=1S/C26H37N7O2/c1-19-15-21(16-20(2)25(19)35)33(18-22(27)34)13-11-31(12-14-33)24-17-23(30-7-3-4-8-30)28-26(29-24)32-9-5-6-10-32/h15-17H,3-14,18H2,1-2H3,(H2-,27,34,35)/p+1