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(2S)-N-(1-adamantylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide

(2S)-N-(1-adamantylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name:(2S)-N-(1-adamantylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
Openeye Name:(2S)-N-(1-adamantylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CAS Name:(2S)-N-[(1-adamantylamino)-oxomethyl]-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propanamide
IUPAC Name:(2S)-N-(1-adamantylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
Traditional Name:(2S)-N-(1-adamantylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propionamide
Formula: C24H34ClN4O2+
MolecularWeight: 446.00536
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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)Cl


Isomeric SMILES

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


InChI

InChI=1S/C24H33ClN4O2/c1-16(28-5-7-29(8-6-28)21-4-2-3-20(25)12-21)22(30)26-23(31)27-24-13-17-9-18(14-24)11-19(10-17)15-24/h2-4,12,16-19H,5-11,13-15H2,1H3,(H2,26,27,30,31)/p+1/t16-,17?,18?,19?,24?/m0/s1


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