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

Systemtic Name: (4S)-4-methyl-5-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-[2-(4-pyridin-1-ium-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-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H27N5O2+2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25N5O2/c1-16-14-20(27)23-17-6-2-3-7-18(17)26(16)21(28)15-24-10-12-25(13-11-24)19-8-4-5-9-22-19/h2-9,16H,10-15H2,1H3,(H,23,27)/p+2/t16-/m0/s1