(2R)-N-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C24H35N3O2/c1-17(23(28)25-24-14-18-10-19(15-24)12-20(11-18)16-24)26-6-8-27(9-7-26)21-4-3-5-22(13-21)29-2/h3-5,13,17-20H,6-12,14-16H2,1-2H3,(H,25,28)/p+1/t17-,18?,19?,20?,24?/m1/s1