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

Systemtic Name: (5R)-5-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(2-methoxyethyl)azepan-2-one Openeye Name: (5R)-5-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(2-methoxyethyl)azepan-2-one CAS Name: (5R)-5-[4-(1-adamantyl)-1-piperazin-4-iumyl]-1-(2-methoxyethyl)-2-azepanone IUPAC Name: (5R)-5-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(2-methoxyethyl)azepan-2-one Traditional Name: (5R)-5-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(2-methoxyethyl)azepan-2-one Formula: C23H40N3O2+ MolecularWeight: 390.5826

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCC(CCC1=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCN1CC[C@@H](CCC1=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H39N3O2/c1-28-11-10-25-5-4-21(2-3-22(25)27)24-6-8-26(9-7-24)23-15-18-12-19(16-23)14-20(13-18)17-23/h18-21H,2-17H2,1H3/p+1/t18?,19?,20?,21-,23?/m1/s1