1-[3-(4-butan-2-ylphenoxy)propyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[3-(4-butan-2-ylphenoxy)propyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-methyl-4-[3-(4-sec-butylphenoxy)propyl]piperazine-1,4-diium CAS Name: 1-[3-(4-butan-2-ylphenoxy)propyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[3-(4-butan-2-ylphenoxy)propyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-methyl-4-[3-(4-sec-butylphenoxy)propyl]piperazine-1,4-diium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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