[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H23N3O2S/c1-19(12-15-6-11-24-14-15)13-18(23)21-9-7-20(8-10-21)16-2-4-17(22)5-3-16/h2-6,11,14,22H,7-10,12-13H2,1H3/p+1