N-[(2,4-dimethylphenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2,4-dimethylbenzyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

InChI

InChI=1S/C22H29N3O2/c1-17-8-9-19(18(2)14-17)15-23(3)22(27)16-24-10-12-25(13-11-24)20-6-4-5-7-21(20)26/h4-9,14,26H,10-13,15-16H2,1-3H3/p+1