1-(2,5-diethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,5-diethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,5-diethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,5-diethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,5-diethoxyphenyl)sulfonyl-piperazin-1-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O4S/c1-3-26-19-10-11-20(27-4-2)21(16-19)28(24,25)23-14-12-22(13-15-23)17-18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3/p+1