N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(4,5-dimethoxy-2-methyl-benzyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C23H31FN3O3+ MolecularWeight: 416.508943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C23H30FN3O3/c1-17-13-21(29-3)22(30-4)14-18(17)15-25(2)23(28)16-26-9-11-27(12-10-26)20-7-5-19(24)6-8-20/h5-8,13-14H,9-12,15-16H2,1-4H3/p+1