(4-bromanyl-3,5-dimethoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-bromo-3,5-dimethoxy-phenyl)methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-bromo-3,5-dimethoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-bromo-3,5-dimethoxy-phenyl)methanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2O3/c1-25-17-12-16(13-18(26-2)19(17)21)20(24)23-10-8-22(9-11-23)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3/p+1