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

Systemtic Name: (1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: (1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: (1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: (2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC2=CC3=C(C=C2)N(C(=O)N3C)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC2=CC3=C(C=C2)N(C(=O)N3C)C

InChI

InChI=1S/C20H25N3O/c1-15(9-10-16-7-5-4-6-8-16)21-14-17-11-12-18-19(13-17)23(3)20(24)22(18)2/h4-8,11-13,15,21H,9-10,14H2,1-3H3/p+1/t15-/m1/s1