[4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-(1-adamantylamino)-3-pyridin-1-iumyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-keto-butyl]ammonium Formula: C19H30N4O+2 MolecularWeight: 330.4677

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=[NH+]C=C(C=C4)NC(=O)CCC[NH3+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=[NH+]C=C(C=C4)NC(=O)CCC[NH3+]

InChI

InChI=1S/C19H28N4O/c20-5-1-2-18(24)22-16-3-4-17(21-12-16)23-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-4,12-15H,1-2,5-11,20H2,(H,21,23)(H,22,24)/p+2