1-(3-chlorophenyl)sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)sulfonyl-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium Formula: C19H24ClN2O3S+ MolecularWeight: 395.92346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3S/c1-15-6-7-19(25-2)16(12-15)14-21-8-10-22(11-9-21)26(23,24)18-5-3-4-17(20)13-18/h3-7,12-13H,8-11,14H2,1-2H3/p+1