1-(azepan-1-yl)-2-[4-[[3-(methoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[[3-(methoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[3-(methoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[3-(methoxymethyl)-2-benzofuranyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[3-(methoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]ethanone Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N3O4/c1-29-17-19-18-8-4-5-9-20(18)30-22(19)23(28)26-14-12-24(13-15-26)16-21(27)25-10-6-2-3-7-11-25/h4-5,8-9H,2-3,6-7,10-17H2,1H3/p+1