N-(1-adamantylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(1-adamantylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(1-adamantylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-(1-adamantylmethyl)-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(1-adamantylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 1-adamantylmethyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H29N3O2S/c24-26(25,23-5-1-2-6-23)18-3-4-19(21-13-18)22-14-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-4,13,15-17H,1-2,5-12,14H2,(H,21,22)/p+1