N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]adamantane-1-carboxamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4O2/c29-22(28-9-7-27(8-10-28)17-18-1-4-25-5-2-18)3-6-26-23(30)24-14-19-11-20(15-24)13-21(12-19)16-24/h1-2,4-5,19-21H,3,6-17H2,(H,26,30)/p+1