[3-[[5-(1-adamantylamino)pyridin-2-yl]amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[[5-(1-adamantylamino)pyridin-2-yl]amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[[5-(1-adamantylamino)-2-pyridyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[[5-(1-adamantylamino)-2-pyridinyl]amino]-3-oxopropyl]ammonium IUPAC Name: [3-[[5-(1-adamantylamino)pyridin-2-yl]amino]-3-oxopropyl]azanium Traditional Name: [3-[[5-(1-adamantylamino)-2-pyridyl]amino]-3-keto-propyl]ammonium Formula: C18H27N4O+ MolecularWeight: 315.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=CN=C(C=C4)NC(=O)CC[NH3+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=CN=C(C=C4)NC(=O)CC[NH3+]

InChI

InChI=1S/C18H26N4O/c19-4-3-17(23)21-16-2-1-15(11-20-16)22-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-2,11-14,22H,3-10,19H2,(H,20,21,23)/p+1