N-[(2S)-4-methyl-1-oxidanylidene-1-piperazin-4-ium-1-yl-pentan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-piperazin-4-ium-1-yl-pentan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1S)-3-methyl-1-(piperazin-4-ium-1-carbonyl)butyl]cyclohexanecarboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-(1-piperazin-4-iumyl)pentan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-piperazin-4-ium-1-ylpentan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1S)-3-methyl-1-(piperazin-4-ium-1-carbonyl)butyl]cyclohexanecarboxamide Formula: C17H32N3O2+ MolecularWeight: 310.45488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CC[NH2+]CC1)NC(=O)C2CCCCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CC[NH2+]CC1)NC(=O)C2CCCCC2

InChI

InChI=1S/C17H31N3O2/c1-13(2)12-15(17(22)20-10-8-18-9-11-20)19-16(21)14-6-4-3-5-7-14/h13-15,18H,3-12H2,1-2H3,(H,19,21)/p+1/t15-/m0/s1