4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-(4-o-phenetylpiperazin-1-ium-1-yl)butane-1-sulfonate Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H26N2O4S/c1-2-22-16-8-4-3-7-15(16)18-12-10-17(11-13-18)9-5-6-14-23(19,20)21/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,19,20,21)