[(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-cyclohexyl-methyl-azanium

Systemtic Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-cyclohexyl-methyl-azanium Openeye Name: [(1S)-1-(4-azaniumylpiperidine-1-carbonyl)-2-methyl-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2S)-1-(4-ammonio-1-piperidinyl)-3-methyl-1-oxobutan-2-yl]-cyclohexyl-methylammonium IUPAC Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-cyclohexyl-methylazanium Traditional Name: [(1S)-1-(4-ammoniopiperidine-1-carbonyl)-2-methyl-propyl]-cyclohexyl-methyl-ammonium Formula: C17H35N3O+2 MolecularWeight: 297.4793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)[NH3+])[NH+](C)C2CCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)[NH3+])[NH+](C)C2CCCCC2

InChI

InChI=1S/C17H33N3O/c1-13(2)16(19(3)15-7-5-4-6-8-15)17(21)20-11-9-14(18)10-12-20/h13-16H,4-12,18H2,1-3H3/p+2/t16-/m0/s1