(2R)-N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C24H35N4O3+ MolecularWeight: 427.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC=CC=C5O

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC=CC=C5O

InChI

InChI=1S/C24H34N4O3/c1-16(27-6-8-28(9-7-27)20-4-2-3-5-21(20)29)22(30)25-23(31)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,16-19,29H,6-15H2,1H3,(H2,25,26,30,31)/p+1/t16-,17?,18?,19?,24?/m1/s1