(E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylsulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylsulfanyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylsulfanyl-prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(phenylthio)-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylsulfanylprop-2-en-1-one Traditional Name: (E)-1-(4-p-anisylpiperazin-4-ium-1-yl)-3-(phenylthio)prop-2-en-1-one Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2S/c1-25-19-9-7-18(8-10-19)17-22-12-14-23(15-13-22)21(24)11-16-26-20-5-3-2-4-6-20/h2-11,16H,12-15,17H2,1H3/p+1/b16-11+