[4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [4-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methoxy]-3-methoxyphenyl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methoxy]-3-methoxyphenyl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [4-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methoxy]-3-methoxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C=C1)OCC2=CC3=C(C=C2)N(C(=O)N3C)C)OC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C=C1)OCC2=CC3=C(C=C2)N(C(=O)N3C)C)OC

InChI

InChI=1S/C22H29N3O4/c1-5-17(13-26)23-12-15-7-9-20(21(11-15)28-4)29-14-16-6-8-18-19(10-16)25(3)22(27)24(18)2/h6-11,17,23,26H,5,12-14H2,1-4H3/p+1/t17-/m1/s1