1-[4-(4-chloranyl-3-methyl-phenoxy)phenyl]piperazin-4-ium

Systemtic Name: 1-[4-(4-chloranyl-3-methyl-phenoxy)phenyl]piperazin-4-ium Openeye Name: 1-[4-(4-chloro-3-methyl-phenoxy)phenyl]piperazin-4-ium CAS Name: 1-[4-(4-chloro-3-methylphenoxy)phenyl]piperazin-4-ium IUPAC Name: 1-[4-(4-chloro-3-methylphenoxy)phenyl]piperazin-4-ium Traditional Name: 1-[4-(4-chloro-3-methyl-phenoxy)phenyl]piperazin-4-ium Formula: C17H20ClN2O+ MolecularWeight: 303.8065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)N3CC[NH2+]CC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)N3CC[NH2+]CC3)Cl

InChI

InChI=1S/C17H19ClN2O/c1-13-12-16(6-7-17(13)18)21-15-4-2-14(3-5-15)20-10-8-19-9-11-20/h2-7,12,19H,8-11H2,1H3/p+1