N-tert-butyl-2-[4-[(5-methoxy-2-oxidanyl-3-prop-2-enyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(5-methoxy-2-oxidanyl-3-prop-2-enyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(3-allyl-2-hydroxy-5-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[(2-hydroxy-5-methoxy-3-prop-2-enylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(2-hydroxy-5-methoxy-3-prop-2-enylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(3-allyl-2-hydroxy-5-methoxy-benzyl)piperazine-1,4-diium-1-yl]-N-tert-butyl-acetamide Formula: C21H35N3O3+2 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=C(C(=CC(=C2)OC)CC=C)O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=C(C(=CC(=C2)OC)CC=C)O

InChI

InChI=1S/C21H33N3O3/c1-6-7-16-12-18(27-5)13-17(20(16)26)14-23-8-10-24(11-9-23)15-19(25)22-21(2,3)4/h6,12-13,26H,1,7-11,14-15H2,2-5H3,(H,22,25)/p+2