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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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