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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCCN2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCCN2CC[NH+](CC2)C

InChI

InChI=1S/C18H30N2O/c1-4-16(2)17-8-5-6-9-18(17)21-15-7-10-20-13-11-19(3)12-14-20/h5-6,8-9,16H,4,7,10-15H2,1-3H3/p+1/t16-/m0/s1