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

Systemtic Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O3S/c1-17-8-9-20(25-2)19(14-17)15-21-10-12-22(13-11-21)26(23,24)16-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3/p+1