1-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-methyl-4-[3-[3-[(1S)-1-methylpropoxy]phenoxy]propyl]piperazine-1,4-diium CAS Name: 1-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-methyl-4-[3-[3-[(1S)-1-methylpropoxy]phenoxy]propyl]piperazine-1,4-diium Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)OCCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H](C)OC1=CC=CC(=C1)OCCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C18H30N2O2/c1-4-16(2)22-18-8-5-7-17(15-18)21-14-6-9-20-12-10-19(3)11-13-20/h5,7-8,15-16H,4,6,9-14H2,1-3H3/p+2/t16-/m0/s1