(2S)-N-(1-adamantyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C22H32N4O/c1-16(25-6-8-26(9-7-25)20-4-2-3-5-23-20)21(27)24-22-13-17-10-18(14-22)12-19(11-17)15-22/h2-5,16-19H,6-15H2,1H3,(H,24,27)/p+1/t16-,17?,18?,19?,22?/m0/s1