[(1S)-1-(2-methylphenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)[NH2+]CCCN2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)[NH2+]CCCN2CC[NH+](CC2)C

InChI

InChI=1S/C17H29N3/c1-15-7-4-5-8-17(15)16(2)18-9-6-10-20-13-11-19(3)12-14-20/h4-5,7-8,16,18H,6,9-14H2,1-3H3/p+2/t16-/m0/s1