[1-[(2S)-2-(azepan-1-ium-1-yl)-3-methyl-butanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[(2S)-2-(azepan-1-ium-1-yl)-3-methyl-butanoyl]piperidin-4-yl]azanium Openeye Name: [1-[(2S)-2-(azepan-1-ium-1-yl)-3-methyl-butanoyl]-4-piperidyl]ammonium CAS Name: [1-[(2S)-2-(1-azepan-1-iumyl)-3-methyl-1-oxobutyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2S)-2-(azepan-1-ium-1-yl)-3-methylbutanoyl]piperidin-4-yl]azanium Traditional Name: [1-[(2S)-2-(azepan-1-ium-1-yl)-3-methyl-butanoyl]-4-piperidyl]ammonium Formula: C16H33N3O+2 MolecularWeight: 283.45272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C16H31N3O/c1-13(2)15(18-9-5-3-4-6-10-18)16(20)19-11-7-14(17)8-12-19/h13-15H,3-12,17H2,1-2H3/p+2/t15-/m0/s1