N-(2,4-dimethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O2/c1-18-8-9-21(19(2)16-18)23-22(26)17-25-12-10-24(11-13-25)14-15-27-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)/p+2