2-[4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanoyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanoyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[1-oxo-2-[2-(phenoxymethyl)-1-benzimidazolyl]ethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C27H34N5O3+ MolecularWeight: 476.59056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O3/c33-26(30-13-7-2-8-14-30)19-29-15-17-31(18-16-29)27(34)20-32-24-12-6-5-11-23(24)28-25(32)21-35-22-9-3-1-4-10-22/h1,3-6,9-12H,2,7-8,13-21H2/p+1