[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methylbenzofuran-2-yl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(3-methylbenzofuran-2-yl)methanone Formula: C21H22ClN2O2+ MolecularWeight: 369.86458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2/c1-15-18-7-2-3-8-19(18)26-20(15)21(25)24-11-9-23(10-12-24)14-16-5-4-6-17(22)13-16/h2-8,13H,9-12,14H2,1H3/p+1