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

Systemtic Name: (4S)-5-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-13-11-17(24)19-15-5-3-4-6-16(15)22(13)18(25)12-20-7-9-21(10-8-20)14(2)23/h3-6,13H,7-12H2,1-2H3,(H,19,24)/p+1/t13-/m0/s1