2-(4-methoxyphenyl)ethylsulfonyl-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]azanide

Systemtic Name: 2-(4-methoxyphenyl)ethylsulfonyl-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]azanide Openeye Name: 2-(4-methoxyphenyl)ethylsulfonyl-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]azanide CAS Name: 2-(4-methoxyphenyl)ethylsulfonyl-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]azanide IUPAC Name: 2-(4-methoxyphenyl)ethylsulfonyl-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]azanide Traditional Name: 2-(4-methoxyphenyl)ethylsulfonyl-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]azanide Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCS(=O)(=O)[N-]CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCS(=O)(=O)[N-]CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N3O3S/c1-27-21-9-7-19(8-10-21)11-18-28(25,26)22-12-13-23-14-16-24(17-15-23)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3/q-1/p+1