(5R)-5-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-(4-methylpentyl)azepan-2-one

Systemtic Name: (5R)-5-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-(4-methylpentyl)azepan-2-one Openeye Name: (5R)-5-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-isohexyl-azepan-2-one CAS Name: (5R)-5-[4-(2-adamantyl)-1-piperazin-4-iumyl]-1-(4-methylpentyl)-2-azepanone IUPAC Name: (5R)-5-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-(4-methylpentyl)azepan-2-one Traditional Name: (5R)-5-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-isohexyl-azepan-2-one Formula: C26H46N3O+ MolecularWeight: 416.66294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCC(CCC1=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C)CCCN1CC[C@@H](CCC1=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C26H45N3O/c1-19(2)4-3-8-28-9-7-24(5-6-25(28)30)27-10-12-29(13-11-27)26-22-15-20-14-21(17-22)18-23(26)16-20/h19-24,26H,3-18H2,1-2H3/p+1/t20?,21?,22?,23?,24-,26?/m1/s1