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

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3/c1-16(22(28)24-23-13-17-10-18(14-23)12-19(11-17)15-23)25-6-8-26(9-7-25)20-2-4-21(5-3-20)27(29)30/h2-5,16-19H,6-15H2,1H3,(H,24,28)/p+1/t16-,17?,18?,19?,23?/m1/s1