1-(4-methoxyphenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N2O4S/c1-18-5-3-6-20(17-18)27-16-4-11-22-12-14-23(15-13-22)28(24,25)21-9-7-19(26-2)8-10-21/h3,5-10,17H,4,11-16H2,1-2H3/p+1