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

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C23H24BrN2O2+ MolecularWeight: 440.35286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23BrN2O2/c1-28-22-10-9-19(24)15-18(22)16-25-11-13-26(14-12-25)23(27)21-8-4-6-17-5-2-3-7-20(17)21/h2-10,15H,11-14,16H2,1H3/p+1