[(2S)-1-[[5-(1-adamantylamino)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[5-(1-adamantylamino)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[[5-(1-adamantylamino)-2-pyridyl]amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[5-(1-adamantylamino)-2-pyridinyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[5-(1-adamantylamino)pyridin-2-yl]amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[[5-(1-adamantylamino)-2-pyridyl]amino]-2-keto-1-methyl-ethyl]ammonium Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)NC23CC4CC(C2)CC(C4)C3)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)NC23CC4CC(C2)CC(C4)C3)[NH3+]

InChI

InChI=1S/C18H26N4O/c1-11(19)17(23)21-16-3-2-15(10-20-16)22-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,10-14,22H,4-9,19H2,1H3,(H,20,21,23)/p+1/t11-,12?,13?,14?,18?/m0/s1