2-[1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(4-ethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(4-ethoxybenzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C29H35N8O2+ MolecularWeight: 527.6406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)CC3=CN=CC=C3)C4=NC(=NC(=C4)C)N5C=CN=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)CC3=CN=CC=C3)C4=NC(=NC(=C4)C)N5C=CN=C5

InChI

InChI=1S/C29H34N8O2/c1-3-39-26-8-6-23(7-9-26)20-37(28-15-22(2)33-29(34-28)36-12-11-32-21-36)14-13-35(19-25(37)16-27(30)38)18-24-5-4-10-31-17-24/h4-12,15,17,21,25H,3,13-14,16,18-20H2,1-2H3,(H-,30,38)/p+1