2-chloranyl-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-chloranyl-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-chloro-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-chloro-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-chloro-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-chloro-1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C16H24ClN2O3+ MolecularWeight: 327.82636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)CCl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)CCl)OC)OC

InChI

InChI=1S/C16H23ClN2O3/c1-12-8-14(21-2)15(22-3)9-13(12)11-18-4-6-19(7-5-18)16(20)10-17/h8-9H,4-7,10-11H2,1-3H3/p+1