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

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-ium-3-yl]acetamide CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-1-ium-3-yl]acetamide Traditional Name: 2-[1-homoveratryl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-ium-3-yl]acetamide Formula: C24H31N6O3+ MolecularWeight: 451.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCC(C3)CC(=O)N)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCC(C3)CC(=O)N)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H30N6O3/c1-17-12-23(28-24(27-17)29-9-8-26-16-29)30(11-7-19(15-30)14-22(25)31)10-6-18-4-5-20(32-2)21(13-18)33-3/h4-5,8-9,12-13,16,19H,6-7,10-11,14-15H2,1-3H3,(H-,25,31)/p+1