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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3/c1-14(2)18-7-5-17(6-8-18)13-24-20-12-16(4)15(3)11-19(20)23-21(24)9-10-22/h5-8,11-12,14H,9-10,13,22H2,1-4H3/p+1