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

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-4,5-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-4,5-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)Cl)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)Cl)OC)OC

InChI

InChI=1S/C21H25ClN2O3/c1-15-6-4-5-7-16(15)14-23-8-10-24(11-9-23)21(25)17-12-18(22)20(27-3)19(13-17)26-2/h4-7,12-13H,8-11,14H2,1-3H3/p+1