N-(1-adamantylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H37N3O2/c1-2-30-23-6-4-3-5-22(23)28-9-7-27(8-10-28)17-24(29)26-18-25-14-19-11-20(15-25)13-21(12-19)16-25/h3-6,19-21H,2,7-18H2,1H3,(H,26,29)/p+1