[4-(phenylmethyl)piperazin-4-ium-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5,6-trimethylbenzofuran-2-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(3,5,6-trimethyl-2-benzofuranyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5,6-trimethylbenzofuran-2-yl)methanone Formula: C23H27N2O2+ MolecularWeight: 363.47268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C23H26N2O2/c1-16-13-20-18(3)22(27-21(20)14-17(16)2)23(26)25-11-9-24(10-12-25)15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3/p+1