N-(2-ethylphenyl)-2-[4-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(2-hydroxy-5-isopropyl-4-methyl-benzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C25H37N3O2+2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C(=C3)C(C)C)C)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C(=C3)C(C)C)C)O

InChI

InChI=1S/C25H35N3O2/c1-5-20-8-6-7-9-23(20)26-25(30)17-28-12-10-27(11-13-28)16-21-15-22(18(2)3)19(4)14-24(21)29/h6-9,14-15,18,29H,5,10-13,16-17H2,1-4H3,(H,26,30)/p+2