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

Systemtic Name: (3-bromanyl-4-propoxy-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromo-4-propoxy-phenyl)methanone CAS Name: (3-bromo-4-propoxyphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromo-4-propoxyphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromo-4-propoxy-phenyl)methanone Formula: C27H30BrN2O2+ MolecularWeight: 494.4433

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C27H29BrN2O2/c1-2-19-32-25-14-13-23(20-24(25)28)27(31)30-17-15-29(16-18-30)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,20,26H,2,15-19H2,1H3/p+1