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2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinolin-1-ium

2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name:2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinolin-1-ium
Openeye Name:2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]quinolin-1-ium
CAS Name:2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]quinolin-1-ium
IUPAC Name:2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinolin-1-ium
Traditional Name:2-[4-[(E)-styryl]sulfonylpiperazino]quinolin-1-ium
Formula: C21H22N3O2S+
MolecularWeight: 380.48328
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)S(=O)(=O)C=CC4=CC=CC=C4


Isomeric SMILES

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)S(=O)(=O)/C=C/C4=CC=CC=C4


InChI

InChI=1S/C21H21N3O2S/c25-27(26,17-12-18-6-2-1-3-7-18)24-15-13-23(14-16-24)21-11-10-19-8-4-5-9-20(19)22-21/h1-12,17H,13-16H2/p+1/b17-12+


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