1-(azepan-1-yl)-2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanone Formula: C20H29N4O+ MolecularWeight: 341.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H28N4O/c25-19(24-11-5-1-2-6-12-24)15-23-13-9-16(10-14-23)20-21-17-7-3-4-8-18(17)22-20/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,21,22)/p+1