N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanediamide

Systemtic Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide CAS Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]oxamide IUPAC Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Traditional Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Formula: C21H36N5O2+ MolecularWeight: 390.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(=O)NCC(C1=CC=C(C=C1)N(C)C)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)NC(=O)C(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)N2CC[NH+](CC2)C

InChI

InChI=1S/C21H35N5O2/c1-21(2,3)23-20(28)19(27)22-15-18(26-13-11-25(6)12-14-26)16-7-9-17(10-8-16)24(4)5/h7-10,18H,11-15H2,1-6H3,(H,22,27)(H,23,28)/p+1/t18-/m1/s1