N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-piperonylamide Formula: C26H25ClN5O3+ MolecularWeight: 490.9614

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H24ClN5O3/c1-32(30-26(33)17-6-9-23-24(14-17)35-16-34-23)12-10-31(11-13-32)25-19-4-2-3-5-20(19)28-21-8-7-18(27)15-22(21)29-25/h2-9,14-15H,10-13,16H2,1H3,(H-,28,29,30,33)/p+1