1-(2-methylpropyl)-2-[(1S)-1-piperidin-1-ium-1-ylethyl]benzimidazole

Systemtic Name: 1-(2-methylpropyl)-2-[(1S)-1-piperidin-1-ium-1-ylethyl]benzimidazole Openeye Name: 1-isobutyl-2-[(1S)-1-piperidin-1-ium-1-ylethyl]benzimidazole CAS Name: 1-(2-methylpropyl)-2-[(1S)-1-(1-piperidin-1-iumyl)ethyl]benzimidazole IUPAC Name: 1-(2-methylpropyl)-2-[(1S)-1-piperidin-1-ium-1-ylethyl]benzimidazole Traditional Name: 1-isobutyl-2-[(1S)-1-piperidin-1-ium-1-ylethyl]benzimidazole Formula: C18H28N3+ MolecularWeight: 286.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1C(C)[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1CC(C)C)[NH+]3CCCCC3

InChI

InChI=1S/C18H27N3/c1-14(2)13-21-17-10-6-5-9-16(17)19-18(21)15(3)20-11-7-4-8-12-20/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3/p+1/t15-/m0/s1