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

Systemtic Name: [(2S)-butan-2-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-butan-2-yl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-1-methylpropyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H26N2/c1-3-14(2)17-16-9-11-18(12-10-16)13-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3/p+2/t14-/m0/s1