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

Systemtic Name: [(1S)-1-phenylethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-phenylethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-phenylethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-phenylethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-phenylethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-15(16-9-4-2-5-10-16)17-11-8-14-18-12-6-3-7-13-18/h2,4-5,9-10,15,17H,3,6-8,11-14H2,1H3/p+2/t15-/m0/s1