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

Systemtic Name: N'-cycloheptyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-cycloheptyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide CAS Name: N'-cycloheptyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]oxamide IUPAC Name: N'-cycloheptyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Traditional Name: N'-cycloheptyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Formula: C24H40N5O2+ MolecularWeight: 430.6067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C(=O)NC2CCCCCC2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)NC2CCCCCC2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C24H39N5O2/c1-27(2)21-12-10-19(11-13-21)22(29-16-14-28(3)15-17-29)18-25-23(30)24(31)26-20-8-6-4-5-7-9-20/h10-13,20,22H,4-9,14-18H2,1-3H3,(H,25,30)(H,26,31)/p+1/t22-/m1/s1