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

Systemtic Name: [(2S)-heptan-2-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-1-methylhexyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-heptan-2-yl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-1-methylhexyl]ammonium Formula: C19H34N2+2 MolecularWeight: 290.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2/c1-3-4-6-9-17(2)20-19-12-14-21(15-13-19)16-18-10-7-5-8-11-18/h5,7-8,10-11,17,19-20H,3-4,6,9,12-16H2,1-2H3/p+2/t17-/m0/s1