(2-bromanyl-5-methoxy-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (2-bromo-5-methoxyphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (2-bromo-5-methoxy-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C12H16BrN2O2+ MolecularWeight: 300.17164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H15BrN2O2/c1-17-9-2-3-11(13)10(8-9)12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3/p+1