1-(azepan-1-yl)-2-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(3-bromo-4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C19H29BrN3O4S+ MolecularWeight: 475.42026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)Br

InChI

InChI=1S/C19H28BrN3O4S/c1-27-18-7-6-16(14-17(18)20)28(25,26)23-12-10-21(11-13-23)15-19(24)22-8-4-2-3-5-9-22/h6-7,14H,2-5,8-13,15H2,1H3/p+1