4-[[4-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(2-methylthiazol-4-yl)acryloyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H21N4OS+ MolecularWeight: 353.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H20N4OS/c1-15-21-18(14-25-15)6-7-19(24)23-10-8-22(9-11-23)13-17-4-2-16(12-20)3-5-17/h2-7,14H,8-11,13H2,1H3/p+1/b7-6+