(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-(5,6-dimethyl-1-benzimidazolyl)-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC(C[NH+]3CCOCC3)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[C@@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C16H23N3O2/c1-12-7-15-16(8-13(12)2)19(11-17-15)10-14(20)9-18-3-5-21-6-4-18/h7-8,11,14,20H,3-6,9-10H2,1-2H3/p+1/t14-/m1/s1