[(2S)-5-methylhexan-2-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-1,4-dimethylpentyl]ammonium Formula: C19H34N2+2 MolecularWeight: 290.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2/c1-16(2)9-10-17(3)20-19-11-13-21(14-12-19)15-18-7-5-4-6-8-18/h4-8,16-17,19-20H,9-15H2,1-3H3/p+2/t17-/m0/s1