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

Systemtic Name: [(1S)-1-[5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[1-[(4-isopropylphenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]-2-benzimidazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[1-(4-isopropylbenzyl)-5,6-dimethyl-benzimidazol-2-yl]ethyl]ammonium Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)C(C)[NH3+])CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)[C@H](C)[NH3+])CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H27N3/c1-13(2)18-8-6-17(7-9-18)12-24-20-11-15(4)14(3)10-19(20)23-21(24)16(5)22/h6-11,13,16H,12,22H2,1-5H3/p+1/t16-/m0/s1