1-(3-phenoxypropyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(3-phenoxypropyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(3-phenoxypropyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-(3-phenoxypropyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(3-phenoxypropyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(3-phenoxypropyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c24-27(25,19-12-20-8-3-1-4-9-20)23-16-14-22(15-17-23)13-7-18-26-21-10-5-2-6-11-21/h1-6,8-12,19H,7,13-18H2/p+1/b19-12+