(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C20H30N3O4S+ MolecularWeight: 408.5349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H29N3O4S/c1-21-12-14-22(15-13-21)20(24)9-7-17-6-8-18(27-2)19(16-17)28(25,26)23-10-4-3-5-11-23/h6-9,16H,3-5,10-15H2,1-2H3/p+1/b9-7+