N-[6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]propanamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]propanamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]propanamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-11-benzo[b][1,4]benzodiazepinyl]propanamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]propanamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]propionamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NN1C2=CC=CC=C2C(=NC3=CC=CC=C31)N4CC[NH+](CC4)C

Isomeric SMILES

CCC(=O)NN1C2=CC=CC=C2C(=NC3=CC=CC=C31)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H25N5O/c1-3-20(27)23-26-18-10-6-4-8-16(18)21(25-14-12-24(2)13-15-25)22-17-9-5-7-11-19(17)26/h4-11H,3,12-15H2,1-2H3,(H,23,27)/p+1