(2,4-dimethylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (2,4-dimethylbenzyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=C(C=C(C=C2)C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C18H30N2/c1-15-8-9-18(16(2)13-15)14-19-10-6-12-20-11-5-4-7-17(20)3/h8-9,13,17,19H,4-7,10-12,14H2,1-3H3/p+2/t17-/m0/s1