(1S)-1-(1-adamantyl)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)ethanol

Systemtic Name: (1S)-1-(1-adamantyl)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)ethanol Openeye Name: (1S)-1-(1-adamantyl)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)ethanol CAS Name: (1S)-1-(1-adamantyl)-2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)ethanol IUPAC Name: (1S)-1-(1-adamantyl)-2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)ethanol Traditional Name: (1S)-1-(1-adamantyl)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)ethanol Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(C34CC5CC(C3)CC(C5)C4)O)N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)C[C@H](C34CC5CC(C3)CC(C5)C4)O)N

InChI

InChI=1S/C20H27N3O/c1-22-16-4-2-3-5-17(16)23(19(22)21)12-18(24)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,18,21,24H,6-12H2,1H3/p+1/t13?,14?,15?,18-,20?/m1/s1