[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(methoxymethyl)benzofuran-2-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[3-(methoxymethyl)-2-benzofuranyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(methoxymethyl)benzofuran-2-yl]methanone Formula: C28H29N2O3+ MolecularWeight: 441.54146

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O3/c1-32-20-24-23-14-8-9-15-25(23)33-27(24)28(31)30-18-16-29(17-19-30)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,26H,16-20H2,1H3/p+1