1-[(4-butoxyphenyl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(4-butoxyphenyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(4-butoxyphenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(4-butoxyphenyl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(4-butoxybenzyl)-4-methyl-piperazine-1,4-diium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C16H26N2O/c1-3-4-13-19-16-7-5-15(6-8-16)14-18-11-9-17(2)10-12-18/h5-8H,3-4,9-14H2,1-2H3/p+2