[4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-[(4-chloro-3-methyl-phenoxy)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(4-chloro-3-methyl-phenoxy)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C20H23ClN2O2/c1-15-13-18(7-8-19(15)21)25-14-16-3-5-17(6-4-16)20(24)23-11-9-22(2)10-12-23/h3-8,13H,9-12,14H2,1-2H3/p+1