tert-butyl N-[2,3-bis(diethylaminomethyl)-1-oxidanidyl-quinoxalin-1-ium-6-yl]carbamate

Systemtic Name: tert-butyl N-[2,3-bis(diethylaminomethyl)-1-oxidanidyl-quinoxalin-1-ium-6-yl]carbamate Openeye Name: tert-butyl N-[2,3-bis(diethylaminomethyl)-1-oxido-quinoxalin-1-ium-6-yl]carbamate CAS Name: N-[2,3-bis(diethylaminomethyl)-1-oxido-6-quinoxalin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2,3-bis(diethylaminomethyl)-1-oxidoquinoxalin-1-ium-6-yl]carbamate Traditional Name: N-[2,3-bis(diethylaminomethyl)-1-oxido-quinoxalin-1-ium-6-yl]carbamic acid tert-butyl ester Formula: C23H37N5O3 MolecularWeight: 431.57158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=C(C=CC(=C2)NC(=O)OC(C)(C)C)[N+](=C1CN(CC)CC)[O-]

Isomeric SMILES

CCN(CC)CC1=NC2=C(C=CC(=C2)NC(=O)OC(C)(C)C)[N+](=C1CN(CC)CC)[O-]

InChI

InChI=1S/C23H37N5O3/c1-8-26(9-2)15-19-21(16-27(10-3)11-4)28(30)20-13-12-17(14-18(20)25-19)24-22(29)31-23(5,6)7/h12-14H,8-11,15-16H2,1-7H3,(H,24,29)