(5-chloranyl-1-benzofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chlorobenzofuran-2-yl)methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-1-benzofuran-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chlorobenzofuran-2-yl)methanone Formula: C20H20ClN2O2+ MolecularWeight: 355.838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H19ClN2O2/c21-17-6-7-18-16(12-17)13-19(25-18)20(24)23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1