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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-isopropyl-oxamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-propan-2-yloxamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-isopropyl-oxamide Formula: C20H34N5O2+ MolecularWeight: 376.51626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N5O2/c1-15(2)22-20(27)19(26)21-14-18(25-12-10-24(5)11-13-25)16-6-8-17(9-7-16)23(3)4/h6-9,15,18H,10-14H2,1-5H3,(H,21,26)(H,22,27)/p+1/t18-/m1/s1