[5-(azepan-1-ium-1-ylmethyl)furan-2-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-(azepan-1-ium-1-ylmethyl)furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(azepan-1-ium-1-ylmethyl)-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-(1-azepan-1-iumylmethyl)-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-(azepan-1-ium-1-ylmethyl)furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-(azepan-1-ium-1-ylmethyl)-2-furyl]-piperazin-4-ium-1-yl-methanone Formula: C16H27N3O2+2 MolecularWeight: 293.40448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(O2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(O2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H25N3O2/c20-16(19-11-7-17-8-12-19)15-6-5-14(21-15)13-18-9-3-1-2-4-10-18/h5-6,17H,1-4,7-13H2/p+2