[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(p-tolylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone Traditional Name: asaryl-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-16-5-7-17(8-6-16)15-23-9-11-24(12-10-23)22(25)18-13-20(27-3)21(28-4)14-19(18)26-2/h5-8,13-14H,9-12,15H2,1-4H3/p+1