1-methyl-4-[3-(2-methyl-6-prop-2-enyl-phenoxy)propyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[3-(2-methyl-6-prop-2-enyl-phenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-[3-(2-allyl-6-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-methyl-4-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-[3-(2-allyl-6-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Formula: C18H30N2O+2 MolecularWeight: 290.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-4-7-17-9-5-8-16(2)18(17)21-15-6-10-20-13-11-19(3)12-14-20/h4-5,8-9H,1,6-7,10-15H2,2-3H3/p+2