1H-benzimidazol-2-ylmethyl-[[(1S)-cyclohex-3-en-1-yl]methyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[[(1S)-cyclohex-3-en-1-yl]methyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[[(1S)-cyclohex-3-en-1-yl]methyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[[(1S)-1-cyclohex-3-enyl]methyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[[(1S)-cyclohex-3-en-1-yl]methyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[[(1S)-cyclohex-3-en-1-yl]methyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C21H28N5+ MolecularWeight: 350.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+](CCCN2C=CN=C2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+](CCCN2C=CN=C2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H27N5/c1-2-7-18(8-3-1)15-26(13-6-12-25-14-11-22-17-25)16-21-23-19-9-4-5-10-20(19)24-21/h1-2,4-5,9-11,14,17-18H,3,6-8,12-13,15-16H2,(H,23,24)/p+1/t18-/m1/s1