(3-bromanyl-2,5-dimethoxy-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-bromanyl-2,5-dimethoxy-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-bromo-2,5-dimethoxy-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (3-bromo-2,5-dimethoxyphenyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-bromo-2,5-dimethoxyphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-bromo-2,5-dimethoxy-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C21H26BrN2O3+ MolecularWeight: 434.34674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)OC)Br

InChI

InChI=1S/C21H25BrN2O3/c1-26-17-14-18(20(27-2)19(22)15-17)21(25)24-12-10-23(11-13-24)9-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3/p+1