4-[[4-(5-ethanoylthiophen-2-yl)carbonyl-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-ethanoylthiophen-2-yl)carbonyl-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-acetylthiophene-2-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-acetyl-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-acetylthiophene-2-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-acetylthiophene-2-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O2S/c1-15(24)18-7-8-19(26-18)20(25)23-10-2-9-22(11-12-23)14-17-5-3-16(13-21)4-6-17/h3-8H,2,9-12,14H2,1H3/p+1