1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-N,N,3,5-tetramethyl-4-pyrazolesulfonamide IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide Traditional Name: N,N,3,5-tetramethyl-1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Formula: C20H32N5O3S+ MolecularWeight: 422.56478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=C(C(=N3)C)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=C(C(=N3)C)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C20H31N5O3S/c1-6-28-19-10-8-7-9-18(19)24-13-11-23(12-14-24)15-25-17(3)20(16(2)21-25)29(26,27)22(4)5/h7-10H,6,11-15H2,1-5H3/p+1