1-[(4-methoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(4-isopropylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-p-anisyl-4-p-cumenylsulfonyl-piperazin-1-ium Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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