1-(1-adamantyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Openeye Name: 1-(1-adamantyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea CAS Name: 1-(1-adamantyl)-3-[[1-[(4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]urea IUPAC Name: 1-(1-adamantyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Traditional Name: 1-(1-adamantyl)-3-[(1-p-anisylpiperidin-1-ium-4-yl)methyl]urea Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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