1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-propylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-propylsulfonyl-piperazin-1-ium Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O4S/c1-3-15-29(25,26)24-13-11-23(12-14-24)17-20-9-10-21(27-2)22(16-20)28-18-19-7-5-4-6-8-19/h4-10,16H,3,11-15,17-18H2,1-2H3/p+1