N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-N-methyl-ethanediamide

Systemtic Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-N-methyl-ethanediamide Openeye Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-N-methyl-oxamide CAS Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-N-methyloxamide IUPAC Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-N-methyloxamide Traditional Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-N-methyl-oxamide Formula: C18H31N5O2+2 MolecularWeight: 349.47104

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CNC(=O)C(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C18H29N5O2/c1-19-17(24)18(25)20-13-16(23-11-9-22(4)10-12-23)14-5-7-15(8-6-14)21(2)3/h5-8,16H,9-13H2,1-4H3,(H,19,24)(H,20,25)/p+2/t16-/m1/s1