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

Systemtic Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinoxaline-2-carboxamide Openeye Name: N-methyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]quinoxaline-2-carboxamide CAS Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-quinoxalinecarboxamide IUPAC Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinoxaline-2-carboxamide Traditional Name: N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-quinoxaline-2-carboxamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C24H27N5O2/c1-18-6-5-7-19(14-18)16-28-10-12-29(13-11-28)23(30)17-27(2)24(31)22-15-25-20-8-3-4-9-21(20)26-22/h3-9,14-15H,10-13,16-17H2,1-2H3/p+1