1-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]-4-methyl-piperazin-4-ium Openeye Name: 1-methyl-4-[3-[4-[(1S)-1-methylpropyl]phenoxy]propyl]piperazin-1-ium CAS Name: 1-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]-4-methylpiperazin-4-ium Traditional Name: 1-methyl-4-[3-[4-[(1S)-1-methylpropyl]phenoxy]propyl]piperazin-1-ium Formula: C18H31N2O+ MolecularWeight: 291.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCCN2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OCCCN2CC[NH+](CC2)C

InChI

InChI=1S/C18H30N2O/c1-4-16(2)17-6-8-18(9-7-17)21-15-5-10-20-13-11-19(3)12-14-20/h6-9,16H,4-5,10-15H2,1-3H3/p+1/t16-/m0/s1