2-chloranyl-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-chloranyl-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-chloro-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-chloro-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-chloro-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-chloro-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C15H22ClN2O3+ MolecularWeight: 313.79978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCl)OC

InChI

InChI=1S/C15H21ClN2O3/c1-20-13-4-3-12(9-14(13)21-2)11-17-5-7-18(8-6-17)15(19)10-16/h3-4,9H,5-8,10-11H2,1-2H3/p+1