N-(1-adamantylmethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C25H39N3O2+2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H37N3O2/c1-30-23-4-2-19(3-5-23)16-27-6-8-28(9-7-27)17-24(29)26-18-25-13-20-10-21(14-25)12-22(11-20)15-25/h2-5,20-22H,6-18H2,1H3,(H,26,29)/p+2