N-(2,3-dimethylphenyl)-2-[4-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-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:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C(=C3)C(C)C)C)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C(=C3)C(C)C)C)O)C

InChI

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