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

Systemtic Name: [(1S)-1-[1-[(4-tert-butylphenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[1-[(4-tert-butylphenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[1-[(4-tert-butylphenyl)methyl]-5,6-dimethyl-2-benzimidazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[1-[(4-tert-butylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[1-(4-tert-butylbenzyl)-5,6-dimethyl-benzimidazol-2-yl]ethyl]ammonium Formula: C22H30N3+ MolecularWeight: 336.4937

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3/c1-14-11-19-20(12-15(14)2)25(21(24-19)16(3)23)13-17-7-9-18(10-8-17)22(4,5)6/h7-12,16H,13,23H2,1-6H3/p+1/t16-/m0/s1