2-[3-[(2R)-2-(1-adamantyl)-2-oxidanyl-ethyl]-2-azanylidene-benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[3-[(2R)-2-(1-adamantyl)-2-oxidanyl-ethyl]-2-azanylidene-benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[3-[(2R)-2-(1-adamantyl)-2-hydroxy-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[3-[(2R)-2-(1-adamantyl)-2-hydroxyethyl]-2-imino-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[3-[(2R)-2-(1-adamantyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[3-[(2R)-2-(1-adamantyl)-2-hydroxy-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C25H39N4O+ MolecularWeight: 411.60336

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)C[C@@H](C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C25H38N4O/c1-3-27(4-2)9-10-28-21-7-5-6-8-22(21)29(24(28)26)17-23(30)25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20,23,26,30H,3-4,9-17H2,1-2H3/p+1/t18?,19?,20?,23-,25?/m0/s1