1-[5-(4-chloranyl-2-methyl-phenoxy)pentyl]piperazin-4-ium

Systemtic Name: 1-[5-(4-chloranyl-2-methyl-phenoxy)pentyl]piperazin-4-ium Openeye Name: 1-[5-(4-chloro-2-methyl-phenoxy)pentyl]piperazin-4-ium CAS Name: 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazin-4-ium IUPAC Name: 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazin-4-ium Traditional Name: 1-[5-(4-chloro-2-methyl-phenoxy)pentyl]piperazin-4-ium Formula: C16H26ClN2O+ MolecularWeight: 297.84344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCCCN2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCCCN2CC[NH2+]CC2

InChI

InChI=1S/C16H25ClN2O/c1-14-13-15(17)5-6-16(14)20-12-4-2-3-9-19-10-7-18-8-11-19/h5-6,13,18H,2-4,7-12H2,1H3/p+1