bis[(1R,3S)-5-chloranyl-2-adamantyl]azanium

Systemtic Name: bis[(1R,3S)-5-chloranyl-2-adamantyl]azanium Openeye Name: bis[(1R,3S)-5-chloro-2-adamantyl]ammonium CAS Name: bis[(1R,3S)-5-chloro-2-adamantyl]ammonium IUPAC Name: bis[(1R,3S)-5-chloro-2-adamantyl]azanium Traditional Name: bis[(1R,3S)-5-chloro-2-adamantyl]ammonium Formula: C20H30Cl2N+ MolecularWeight: 355.3649

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3[NH2+]C4C5CC6CC4CC(C6)(C5)Cl)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2[NH2+]C4[C@@H]5CC6C[C@H]4CC(C5)(C6)Cl)CC1C3)Cl

InChI

InChI=1S/C20H29Cl2N/c21-19-5-11-1-13(7-19)17(14(2-11)8-19)23-18-15-3-12-4-16(18)10-20(22,6-12)9-15/h11-18,23H,1-10H2/p+1/t11?,12?,13-,14+,15-,16+,17?,18?,19?,20?