4-[[4-[[3-(methoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[3-(methoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(methoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-(methoxymethyl)-2-benzofuranyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(methoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23N3O3/c1-28-16-20-19-4-2-3-5-21(19)29-22(20)23(27)26-12-10-25(11-13-26)15-18-8-6-17(14-24)7-9-18/h2-9H,10-13,15-16H2,1H3/p+1