[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)F)OC

InChI

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