11-[2-(4-methylpiperazin-1-yl)ethanoyl]-1-oxidanidyl-5H-pyrido[2,3-b][1,4]benzodiazepin-1-ium-6-one

Systemtic Name: 11-[2-(4-methylpiperazin-1-yl)ethanoyl]-1-oxidanidyl-5H-pyrido[2,3-b][1,4]benzodiazepin-1-ium-6-one Openeye Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-1-oxido-5H-pyrido[2,3-b][1,4]benzodiazepin-1-ium-6-one CAS Name: 11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-1-oxido-5H-pyrido[2,3-b][1,4]benzodiazepin-1-ium-6-one IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-1-oxido-5H-pyrido[2,3-b][1,4]benzodiazepin-1-ium-6-one Traditional Name: 11-[2-(4-methylpiperazino)acetyl]-1-oxido-5H-pyrido[2,3-b][1,4]benzodiazepin-1-ium-6-one Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2[N+](=CC=C4)[O-]

Isomeric SMILES

CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2[N+](=CC=C4)[O-]

InChI

InChI=1S/C19H21N5O3/c1-21-9-11-22(12-10-21)13-17(25)24-16-7-3-2-5-14(16)18(26)20-15-6-4-8-23(27)19(15)24/h2-8H,9-13H2,1H3,(H,20,26)