1-[2-(1-adamantyl)ethyl]-3-[3-(1-methylpyridin-1-ium-4-yl)propyl]-1-pentyl-urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(1-methylpyridin-1-ium-4-yl)propyl]-1-pentyl-urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(1-methylpyridin-1-ium-4-yl)propyl]-1-pentyl-urea CAS Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(1-methyl-4-pyridin-1-iumyl)propyl]-1-pentylurea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(1-methylpyridin-1-ium-4-yl)propyl]-1-pentylurea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[3-(1-methylpyridin-1-ium-4-yl)propyl]urea Formula: C27H44N3O+ MolecularWeight: 426.65776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=[N+](C=C4)C

Isomeric SMILES

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=[N+](C=C4)C

InChI

InChI=1S/C27H43N3O/c1-3-4-5-12-30(26(31)28-11-6-7-22-8-13-29(2)14-9-22)15-10-27-19-23-16-24(20-27)18-25(17-23)21-27/h8-9,13-14,23-25H,3-7,10-12,15-21H2,1-2H3/p+1