1-ethyl-3-methyl-2-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]quinoxaline-6-carboxamide

Systemtic Name: 1-ethyl-3-methyl-2-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]quinoxaline-6-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxamide CAS Name: 1-ethyl-3-methyl-2-oxo-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-6-quinoxalinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxamide Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5)N=C(C1=O)C

InChI

InChI=1S/C29H31N5O2/c1-3-34-27-14-9-23(19-26(27)30-21(2)29(34)36)28(35)31-24-10-12-25(13-11-24)33-17-15-32(16-18-33)20-22-7-5-4-6-8-22/h4-14,19H,3,15-18,20H2,1-2H3,(H,31,35)/p+1