(2S)-N-(1-adamantylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1-adamantylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(1-adamantylamino)-oxomethyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C24H34N5O4+ MolecularWeight: 456.55786

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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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O4/c1-16(27-6-8-28(9-7-27)20-2-4-21(5-3-20)29(32)33)22(30)25-23(31)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,16-19H,6-15H2,1H3,(H2,25,26,30,31)/p+1/t16-,17?,18?,19?,24?/m0/s1