(3-chloranyl-4,5-dimethoxy-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-4,5-dimethoxyphenyl)-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-4,5-dimethoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-4,5-dimethoxy-phenyl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C21H26ClN2O4+ MolecularWeight: 405.89514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)Cl)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)Cl)OC)OC

InChI

InChI=1S/C21H25ClN2O4/c1-26-17-6-4-15(5-7-17)14-23-8-10-24(11-9-23)21(25)16-12-18(22)20(28-3)19(13-16)27-2/h4-7,12-13H,8-11,14H2,1-3H3/p+1