1-[5-(2,3-dimethylphenoxy)pentyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[5-(2,3-dimethylphenoxy)pentyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[5-(2,3-dimethylphenoxy)pentyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[5-(2,3-dimethylphenoxy)pentyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[5-(2,3-dimethylphenoxy)pentyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[5-(2,3-dimethylphenoxy)pentyl]-4-methyl-piperazine-1,4-diium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCCC[NH+]2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCCC[NH+]2CC[NH+](CC2)C)C

InChI

InChI=1S/C18H30N2O/c1-16-8-7-9-18(17(16)2)21-15-6-4-5-10-20-13-11-19(3)12-14-20/h7-9H,4-6,10-15H2,1-3H3/p+2