1-methylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-methylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-methylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-methylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-mesyl-4-(3-phenoxybenzyl)piperazin-4-ium Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3S/c1-24(21,22)20-12-10-19(11-13-20)15-16-6-5-9-18(14-16)23-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3/p+1