[(1S)-1-(1-adamantyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(1-adamantyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(1-adamantyl)-2-(2-oxoazepan-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(1-adamantyl)-2-(2-oxo-1-azepanyl)ethyl]ammonium IUPAC Name: [(1S)-1-(1-adamantyl)-2-(2-oxoazepan-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(1-adamantyl)-2-(2-ketoazepan-1-yl)ethyl]ammonium Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(C23CC4CC(C2)CC(C4)C3)[NH3+]

Isomeric SMILES

C1CCC(=O)N(CC1)C[C@H](C23CC4CC(C2)CC(C4)C3)[NH3+]

InChI

InChI=1S/C18H30N2O/c19-16(12-20-5-3-1-2-4-17(20)21)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12,19H2/p+1/t13?,14?,15?,16-,18?/m1/s1