3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c26-21-19-8-4-5-9-20(19)22-16-24(21)17-23-11-13-25(14-12-23)29(27,28)15-10-18-6-2-1-3-7-18/h1-10,15-16H,11-14,17H2/p+1/b15-10+