1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-(benzimidazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-(benzimidazol-1-yl)propan-1-one Openeye Name: 1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-(benzimidazol-1-yl)propan-1-one CAS Name: 1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-(1-benzimidazolyl)-1-propanone IUPAC Name: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-(benzimidazol-1-yl)propan-1-one Traditional Name: 1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-(benzimidazol-1-yl)propan-1-one Formula: C22H32N5O2+ MolecularWeight: 398.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H31N5O2/c28-21(9-12-27-18-23-19-7-3-4-8-20(19)27)26-15-13-24(14-16-26)17-22(29)25-10-5-1-2-6-11-25/h3-4,7-8,18H,1-2,5-6,9-17H2/p+1