[2-ethyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]azanium

Systemtic Name: [2-ethyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]azanium Openeye Name: [2-ethyl-2-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]ammonium CAS Name: [2-ethyl-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butyl]ammonium IUPAC Name: [2-ethyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]azanium Traditional Name: [2-ethyl-2-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C[NH3+])[NH+]1CCN(CC1)C2=CC=CC(=C2)C

Isomeric SMILES

CCC(CC)(C[NH3+])[NH+]1CCN(CC1)C2=CC=CC(=C2)C

InChI

InChI=1S/C17H29N3/c1-4-17(5-2,14-18)20-11-9-19(10-12-20)16-8-6-7-15(3)13-16/h6-8,13H,4-5,9-12,14,18H2,1-3H3/p+2