(5-bromanyl-6-methoxy-3-methyl-1-benzofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-6-methoxy-3-methyl-1-benzofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-6-methoxy-3-methyl-benzofuran-2-yl)methanone CAS Name: (5-bromo-6-methoxy-3-methyl-2-benzofuranyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-6-methoxy-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-6-methoxy-3-methyl-benzofuran-2-yl)methanone Formula: C22H24BrN2O3+ MolecularWeight: 444.34156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC(=C(C=C12)Br)OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC(=C(C=C12)Br)OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23BrN2O3/c1-15-17-12-18(23)20(27-2)13-19(17)28-21(15)22(26)25-10-8-24(9-11-25)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3/p+1