[(1S)-1-phenylbutyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-phenylbutyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-phenylbutyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-phenylbutyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-phenylbutyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-phenylbutyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C18H30N2/c1-2-10-18(17-11-5-3-6-12-17)19-13-9-16-20-14-7-4-8-15-20/h3,5-6,11-12,18-19H,2,4,7-10,13-16H2,1H3/p+2/t18-/m0/s1