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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-m-anisyl-4-(4-propylphenyl)sulfonyl-piperazin-1-ium Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H28N2O3S/c1-3-5-18-8-10-21(11-9-18)27(24,25)23-14-12-22(13-15-23)17-19-6-4-7-20(16-19)26-2/h4,6-11,16H,3,5,12-15,17H2,1-2H3/p+1