2-[4-butyl-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-butyl-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-butyl-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-butyl-1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-butyl-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-butyl-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C28H40N7O2+ MolecularWeight: 506.6629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=NC(=NC(=C3)C(C)C)N4C=CN=C4

Isomeric SMILES

CCCCN1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=NC(=NC(=C3)C(C)C)N4C=CN=C4

InChI

InChI=1S/C28H39N7O2/c1-5-6-12-33-14-15-35(23(18-33)16-26(29)36,19-22-7-9-24(37-4)10-8-22)27-17-25(21(2)3)31-28(32-27)34-13-11-30-20-34/h7-11,13,17,20-21,23H,5-6,12,14-16,18-19H2,1-4H3,(H-,29,36)/p+1