(2R)-1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C20H32N3O4S+ MolecularWeight: 410.55078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H31N3O4S/c1-17(20(24)22-11-5-3-4-6-12-22)21-13-15-23(16-14-21)28(25,26)19-9-7-18(27-2)8-10-19/h7-10,17H,3-6,11-16H2,1-2H3/p+1/t17-/m1/s1