1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-methyl-4-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]piperazine-1,4-diium CAS Name: 1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-methyl-4-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]piperazine-1,4-diium Formula: C19H34N2O+2 MolecularWeight: 306.48606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCCC[NH+]2CC[NH+](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+2/t17-/m0/s1