sodium 4-[4-(4-prop-2-ynoxyphenyl)piperazin-1-yl]butanoate

Systemtic Name: sodium 4-[4-(4-prop-2-ynoxyphenyl)piperazin-1-yl]butanoate Openeye Name: sodium 4-[4-(4-prop-2-ynoxyphenyl)piperazin-1-yl]butanoate CAS Name: sodium 4-[4-(4-prop-2-ynoxyphenyl)-1-piperazinyl]butanoate IUPAC Name: sodium 4-[4-(4-prop-2-ynoxyphenyl)piperazin-1-yl]butanoate Traditional Name: sodium 4-[4-(4-propargyloxyphenyl)piperazino]butyrate Formula: C17H21N2NaO3 MolecularWeight: 324.35001

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)N2CCN(CC2)CCCC(=O)[O-].[Na+]

Isomeric SMILES

C#CCOC1=CC=C(C=C1)N2CCN(CC2)CCCC(=O)[O-].[Na+]

InChI

InChI=1S/C17H22N2O3.Na/c1-2-14-22-16-7-5-15(6-8-16)19-12-10-18(11-13-19)9-3-4-17(20)21;/h1,5-8H,3-4,9-14H2,(H,20,21);/q;+1/p-1