N-(1-adamantyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(1-adamantyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(1-adamantyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1-adamantyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30N4O/c26-20(23-21-12-17-9-18(13-21)11-19(10-17)14-21)25-7-5-24(6-8-25)15-16-1-3-22-4-2-16/h1-4,17-19H,5-15H2,(H,23,26)/p+1