2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]ethanamide

Systemtic Name: 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]ethanamide Openeye Name: 2-(5-isopropyl-6-methyl-benzofuran-3-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]acetamide CAS Name: 2-(6-methyl-5-propan-2-yl-3-benzofuranyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]acetamide IUPAC Name: 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]acetamide Traditional Name: 2-(5-isopropyl-6-methyl-benzofuran-3-yl)-N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]acetamide Formula: C25H34N5O2+ MolecularWeight: 436.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C2CC(=O)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C2CC(=O)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4)C(C)C

InChI

InChI=1S/C25H33N5O2/c1-18(2)21-16-22-20(17-32-23(22)14-19(21)3)15-24(31)26-8-5-9-29-10-12-30(13-11-29)25-27-6-4-7-28-25/h4,6-7,14,16-18H,5,8-13,15H2,1-3H3,(H,26,31)/p+1