N-[4-(azepan-1-yl)phenyl]-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H40N5O3S+ MolecularWeight: 478.6711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H39N5O3S/c30-24(25-22-9-11-23(12-10-22)27-13-5-1-2-6-14-27)21-26-17-19-29(20-18-26)33(31,32)28-15-7-3-4-8-16-28/h9-12H,1-8,13-21H2,(H,25,30)/p+1