(3-bromanyl-4-methoxy-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromo-4-methoxy-phenyl)methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromo-4-methoxyphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromo-4-methoxy-phenyl)methanone Formula: C25H26BrN2O2+ MolecularWeight: 466.39014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C25H25BrN2O2/c1-30-23-13-12-21(18-22(23)26)25(29)28-16-14-27(15-17-28)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3/p+1