1-(2-ethoxy-4-methyl-5-propan-2-yl-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2-ethoxy-4-methyl-5-propan-2-yl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C17H29N2O3S+ MolecularWeight: 341.48876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H28N2O3S/c1-6-22-16-11-14(4)15(13(2)3)12-17(16)23(20,21)19-9-7-18(5)8-10-19/h11-13H,6-10H2,1-5H3/p+1