(2R)-N-(1-adamantylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C23H35N5O2+2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H33N5O2/c1-16(27-6-8-28(9-7-27)20-4-2-3-5-24-20)21(29)25-22(30)26-23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,16-19H,6-15H2,1H3,(H2,25,26,29,30)/p+2/t16-,17?,18?,19?,23?/m1/s1