1-[5-(2-chloranyl-4-methyl-phenoxy)pentyl]piperazine-1,4-diium

Systemtic Name: 1-[5-(2-chloranyl-4-methyl-phenoxy)pentyl]piperazine-1,4-diium Openeye Name: 1-[5-(2-chloro-4-methyl-phenoxy)pentyl]piperazine-1,4-diium CAS Name: 1-[5-(2-chloro-4-methylphenoxy)pentyl]piperazine-1,4-diium IUPAC Name: 1-[5-(2-chloro-4-methylphenoxy)pentyl]piperazine-1,4-diium Traditional Name: 1-[5-(2-chloro-4-methyl-phenoxy)pentyl]piperazine-1,4-diium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCC[NH+]2CC[NH2+]CC2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCC[NH+]2CC[NH2+]CC2)Cl

InChI

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