[(1S)-3-methyl-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butyl]azanium

Systemtic Name: [(1S)-3-methyl-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butyl]azanium Openeye Name: [(1S)-3-methyl-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butyl]ammonium CAS Name: [(1S)-3-methyl-1-[1-[2-(3-methylphenoxy)ethyl]-2-benzimidazolyl]butyl]ammonium IUPAC Name: [(1S)-3-methyl-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butyl]azanium Traditional Name: [(1S)-3-methyl-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2C(CC(C)C)[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2[C@H](CC(C)C)[NH3+]

InChI

InChI=1S/C21H27N3O/c1-15(2)13-18(22)21-23-19-9-4-5-10-20(19)24(21)11-12-25-17-8-6-7-16(3)14-17/h4-10,14-15,18H,11-13,22H2,1-3H3/p+1/t18-/m0/s1