[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C27H29N2O4+ MolecularWeight: 445.53016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N2O4/c1-31-23-18-22(19-24-26(23)33-17-16-32-24)27(30)29-14-12-28(13-15-29)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18-19,25H,12-17H2,1H3/p+1