N-(1-adamantylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-adamantylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-adamantylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H34N4O+2 MolecularWeight: 370.53156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H32N4O/c27-21(15-25-5-7-26(8-6-25)20-3-1-2-4-23-20)24-16-22-12-17-9-18(13-22)11-19(10-17)14-22/h1-4,17-19H,5-16H2,(H,24,27)/p+2