4-[[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N3OS/c1-14-6-11-23-17(14)18(22)21-9-7-20(8-10-21)13-16-4-2-15(12-19)3-5-16/h2-6,11H,7-10,13H2,1H3/p+1