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

Systemtic Name: [(1S)-1-(1-adamantyl)-2-(azepan-1-ium-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(1-adamantyl)-2-(azepan-1-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(1-adamantyl)-2-(1-azepan-1-iumyl)ethyl]ammonium IUPAC Name: [(1S)-1-(1-adamantyl)-2-(azepan-1-ium-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(1-adamantyl)-2-(azepan-1-ium-1-yl)ethyl]ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C23CC4CC(C2)CC(C4)C3)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2/c19-17(13-20-5-3-1-2-4-6-20)18-10-14-7-15(11-18)9-16(8-14)12-18/h14-17H,1-13,19H2/p+2/t14?,15?,16?,17-,18?/m1/s1