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

Systemtic Name: [(2S)-hexan-2-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-1-methylpentyl]ammonium CAS Name: [(2S)-hexan-2-yl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-hexan-2-yl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-1-methylpentyl]ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-3-4-8-16(2)19-18-11-13-20(14-12-18)15-17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3/p+2/t16-/m0/s1