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

Systemtic Name: 1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]-4-methyl-piperazin-1-ium Openeye Name: 1-methyl-4-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]piperazin-4-ium CAS Name: 1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]-4-methylpiperazin-1-ium IUPAC Name: 1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]-4-methylpiperazin-1-ium Traditional Name: 1-methyl-4-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]piperazin-4-ium Formula: C19H33N2O+ MolecularWeight: 305.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCCC[NH+]2CCN(CC2)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCCC[NH+]2CCN(CC2)C

InChI

InChI=1S/C19H32N2O/c1-4-17(2)18-9-5-6-10-19(18)22-16-8-7-11-21-14-12-20(3)13-15-21/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3/p+1/t17-/m0/s1