(5-bromanyl-2-ethoxy-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-2-ethoxy-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-bromo-2-ethoxy-phenyl)methanone CAS Name: (5-bromo-2-ethoxyphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-bromo-2-ethoxyphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-bromo-2-ethoxy-phenyl)methanone Formula: C26H28BrN2O2+ MolecularWeight: 480.41672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27BrN2O2/c1-2-31-24-14-13-22(27)19-23(24)26(30)29-17-15-28(16-18-29)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,2,15-18H2,1H3/p+1