[(2S)-1-[(3R)-4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3R)-4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(3R)-4-(cyclohexanecarbonyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[(3R)-4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(3R)-4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(3R)-4-(cyclohexanecarbonyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-propyl]ammonium Formula: C17H32N3O2+ MolecularWeight: 310.45488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)C(C(C)C)[NH3+]

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)C2CCCCC2)C(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C17H31N3O2/c1-12(2)15(18)17(22)19-9-10-20(13(3)11-19)16(21)14-7-5-4-6-8-14/h12-15H,4-11,18H2,1-3H3/p+1/t13-,15+/m1/s1