2-[4-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C24H33FN4O2+2 MolecularWeight: 428.542823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C

InChI

InChI=1S/C24H31FN4O2/c1-18-7-8-20(19(2)13-18)15-27(3)24(31)17-29-11-9-28(10-12-29)16-23(30)26-22-6-4-5-21(25)14-22/h4-8,13-14H,9-12,15-17H2,1-3H3,(H,26,30)/p+2