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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

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