N-hexyl-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-hexyl-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-hexyl-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-hexyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-hexyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-hexyl-2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H37N3O2+2 MolecularWeight: 363.53738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O2/c1-4-5-6-7-10-22-21(25)17-24-13-11-23(12-14-24)16-19-15-18(2)8-9-20(19)26-3/h8-9,15H,4-7,10-14,16-17H2,1-3H3,(H,22,25)/p+2