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

Systemtic Name: (6-methoxy-3-methyl-1-benzofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(6-methoxy-3-methyl-benzofuran-2-yl)methanone CAS Name: (6-methoxy-3-methyl-2-benzofuranyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(6-methoxy-3-methyl-benzofuran-2-yl)methanone Formula: C22H25N2O3+ MolecularWeight: 365.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3/c1-16-19-9-8-18(26-2)14-20(19)27-21(16)22(25)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1