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

Systemtic Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: [(1S)-1-(4-azaniumylpiperidine-1-carbonyl)-2-methyl-propyl]-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: [(2S)-1-(4-ammonio-1-piperidinyl)-3-methyl-1-oxobutan-2-yl]-methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: [(1S)-1-(4-ammoniopiperidine-1-carbonyl)-2-methyl-propyl]-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C18H32N4O+2 MolecularWeight: 320.47288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O/c1-14(2)17(18(23)22-12-7-16(19)8-13-22)21(3)11-6-15-4-9-20-10-5-15/h4-5,9-10,14,16-17H,6-8,11-13,19H2,1-3H3/p+2/t17-/m0/s1