[1-[(2S)-butan-2-yl]piperidin-1-ium-4-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [1-[(2S)-butan-2-yl]piperidin-1-ium-4-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[1-[(1S)-1-methylpropyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(2S)-butan-2-yl]-4-piperidin-1-iumyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[(2S)-butan-2-yl]piperidin-1-ium-4-yl]-methylazanium Traditional Name: benzyl-methyl-[1-[(1S)-1-methylpropyl]piperidin-1-ium-4-yl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCC(CC1)[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[NH+]1CCC(CC1)[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C17H28N2/c1-4-15(2)19-12-10-17(11-13-19)18(3)14-16-8-6-5-7-9-16/h5-9,15,17H,4,10-14H2,1-3H3/p+2/t15-/m0/s1