[(2S)-1-(4-azaniumylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: [(1S)-2-(4-azaniumyl-1-piperidyl)-1-methyl-2-oxo-ethyl]-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: [(2S)-1-(4-ammonio-1-piperidinyl)-1-oxopropan-2-yl]-methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-1-oxopropan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: [(1S)-2-(4-ammoniopiperidino)-2-keto-1-methyl-ethyl]-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)[NH3+])[NH+](C)CCC2=CC=NC=C2

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)[NH3+])[NH+](C)CCC2=CC=NC=C2

InChI

InChI=1S/C16H26N4O/c1-13(16(21)20-11-6-15(17)7-12-20)19(2)10-5-14-3-8-18-9-4-14/h3-4,8-9,13,15H,5-7,10-12,17H2,1-2H3/p+2/t13-/m0/s1