[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [1-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-3-yl]-piperidino-methanone Formula: C19H28BrN2O2+ MolecularWeight: 396.34182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCCC(C2)C(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCCC(C2)C(=O)N3CCCCC3

InChI

InChI=1S/C19H27BrN2O2/c1-24-18-8-7-17(20)12-16(18)14-21-9-5-6-15(13-21)19(23)22-10-3-2-4-11-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3/p+1