1-(3-chlorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)sulfonyl-4-o-anisyl-piperazin-4-ium Formula: C18H22ClN2O3S+ MolecularWeight: 381.89688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-24-18-8-3-2-5-15(18)14-20-9-11-21(12-10-20)25(22,23)17-7-4-6-16(19)13-17/h2-8,13H,9-12,14H2,1H3/p+1