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

Systemtic Name: [5-[(1S)-1-(azepan-1-ium-1-yl)ethyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-[(1S)-1-(azepan-1-ium-1-yl)ethyl]-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-[(1S)-1-(1-azepan-1-iumyl)ethyl]-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-[(1S)-1-(azepan-1-ium-1-yl)ethyl]furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-[(1S)-1-(azepan-1-ium-1-yl)ethyl]-2-furyl]-piperazin-4-ium-1-yl-methanone Formula: C17H29N3O2+2 MolecularWeight: 307.43106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)N2CC[NH2+]CC2)[NH+]3CCCCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)N2CC[NH2+]CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C17H27N3O2/c1-14(19-10-4-2-3-5-11-19)15-6-7-16(22-15)17(21)20-12-8-18-9-13-20/h6-7,14,18H,2-5,8-13H2,1H3/p+2/t14-/m0/s1