[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H35N5+2 MolecularWeight: 357.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H33N5/c1-3-4-10-21-23-15-19(24-21)16-26-13-7-9-20(17-26)25(2)14-11-18-8-5-6-12-22-18/h5-6,8,12,15,20H,3-4,7,9-11,13-14,16-17H2,1-2H3,(H,23,24)/p+2/t20-/m0/s1