[(1S)-1-[5,6-dimethoxy-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[5,6-dimethoxy-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[1-[(4-isopropylphenyl)methyl]-5,6-dimethoxy-benzimidazol-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[5,6-dimethoxy-1-[(4-propan-2-ylphenyl)methyl]-2-benzimidazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5,6-dimethoxy-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[1-(4-isopropylbenzyl)-5,6-dimethoxy-benzimidazol-2-yl]ethyl]ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2C(C)[NH3+])OC)OC

Isomeric SMILES

C[C@@H](C1=NC2=CC(=C(C=C2N1CC3=CC=C(C=C3)C(C)C)OC)OC)[NH3+]

InChI

InChI=1S/C21H27N3O2/c1-13(2)16-8-6-15(7-9-16)12-24-18-11-20(26-5)19(25-4)10-17(18)23-21(24)14(3)22/h6-11,13-14H,12,22H2,1-5H3/p+1/t14-/m0/s1