(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-[(1R)-1-phenylbutyl]azanium

Systemtic Name: (1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-[(1R)-1-phenylbutyl]azanium Openeye Name: (1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl-[(1R)-1-phenylbutyl]ammonium CAS Name: (1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl-[(1R)-1-phenylbutyl]ammonium IUPAC Name: (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[(1R)-1-phenylbutyl]azanium Traditional Name: (2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl-[(1R)-1-phenylbutyl]ammonium Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CC2=CC3=C(C=C2)N(C(=O)N3C)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)[NH2+]CC2=CC3=C(C=C2)N(C(=O)N3C)C

InChI

InChI=1S/C20H25N3O/c1-4-8-17(16-9-6-5-7-10-16)21-14-15-11-12-18-19(13-15)23(3)20(24)22(18)2/h5-7,9-13,17,21H,4,8,14H2,1-3H3/p+1/t17-/m1/s1