(4S)-4-methyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6O2/c1-15-13-18(27)23-16-5-2-3-6-17(16)26(15)19(28)14-24-9-11-25(12-10-24)20-21-7-4-8-22-20/h2-8,15H,9-14H2,1H3,(H,23,27)/p+1/t15-/m0/s1