N-[(2S)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]adamantane-1-carboxamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4O2/c1-17(26-23(30)24-13-19-10-20(14-24)12-21(11-19)15-24)22(29)28-8-6-27(7-9-28)16-18-2-4-25-5-3-18/h2-5,17,19-21H,6-16H2,1H3,(H,26,30)/p+1/t17-,19?,20?,21?,24?/m0/s1