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

Systemtic Name: N-[4-oxidanylidene-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butyl]adamantane-1-carboxamide Openeye Name: N-[4-oxo-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butyl]adamantane-1-carboxamide CAS Name: N-[4-oxo-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butyl]-1-adamantanecarboxamide IUPAC Name: N-[4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butyl]adamantane-1-carboxamide Formula: C25H37N4O2+ MolecularWeight: 425.58688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O2/c30-23(29-10-8-28(9-11-29)18-19-3-6-26-7-4-19)2-1-5-27-24(31)25-15-20-12-21(16-25)14-22(13-20)17-25/h3-4,6-7,20-22H,1-2,5,8-18H2,(H,27,31)/p+1