N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]quinoxaline-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]quinoxaline-2-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]quinoxaline-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]quinoxaline-2-carboxamide Formula: C26H26N5O+ MolecularWeight: 424.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H25N5O/c32-26(25-18-27-23-8-4-5-9-24(23)29-25)28-21-10-12-22(13-11-21)31-16-14-30(15-17-31)19-20-6-2-1-3-7-20/h1-13,18H,14-17,19H2,(H,28,32)/p+1