[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-methyl-phenyl)methanone

Systemtic Name: [4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-methyl-phenyl)methanone Openeye Name: [4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-methyl-phenyl)methanone CAS Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-methoxy-4-methylphenyl)methanone IUPAC Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-methylphenyl)methanone Traditional Name: [4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(3-methoxy-4-methyl-phenyl)methanone Formula: C21H26FN2O3+ MolecularWeight: 373.441143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)OC

InChI

InChI=1S/C21H25FN2O3/c1-15-4-5-16(13-20(15)27-3)21(25)24-10-8-23(9-11-24)14-17-12-18(22)6-7-19(17)26-2/h4-7,12-13H,8-11,14H2,1-3H3/p+1