N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide Openeye Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide CAS Name: N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide Traditional Name: N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]adamantane-1-carboxamide Formula: C22H33N4O3S+ MolecularWeight: 433.58742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H32N4O3S/c27-21(22-14-17-11-18(15-22)13-19(12-17)16-22)24-5-10-30(28,29)26-8-6-25(7-9-26)20-3-1-2-4-23-20/h1-4,17-19H,5-16H2,(H,24,27)/p+1