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

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O2/c1-17(27-7-9-28(10-8-27)21-5-3-2-4-6-21)22(29)25-23(30)26-24-14-18-11-19(15-24)13-20(12-18)16-24/h2-6,17-20H,7-16H2,1H3,(H2,25,26,29,30)/p+1/t17-,18?,19?,20?,24?/m1/s1