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

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone Formula: C27H30BrN2O3+ MolecularWeight: 510.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H29BrN2O3/c1-3-33-26-23(28)18-22(19-24(26)32-2)27(31)30-16-14-29(15-17-30)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,25H,3,14-17H2,1-2H3/p+1