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

Systemtic Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O4/c1-25-18-13-17(14-19-20(18)27-12-11-26-19)21(24)23-9-7-22(8-10-23)15-16-5-3-2-4-6-16/h2-6,13-14H,7-12,15H2,1H3/p+1