2-[1-(2,3-dihydro-1H-inden-2-yl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2,3-dihydro-1H-inden-2-yl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-indan-2-yl-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-(2,3-dihydro-1H-inden-2-yl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-(3-methyl-1-oxobutyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2,3-dihydro-1H-inden-2-yl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-indan-2-yl-4-isovaleryl-piperazin-1-ium-2-yl]acetamide Formula: C27H34N7O2+ MolecularWeight: 488.60456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[N+](C(C1)CC(=O)N)(C2CC3=CC=CC=C3C2)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CC(C)CC(=O)N1CC[N+](C(C1)CC(=O)N)(C2CC3=CC=CC=C3C2)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C27H33N7O2/c1-19(2)13-26(36)32-11-12-34(23(17-32)16-24(28)35,22-14-20-5-3-4-6-21(20)15-22)25-7-8-30-27(31-25)33-10-9-29-18-33/h3-10,18-19,22-23H,11-17H2,1-2H3,(H-,28,35)/p+1