(2-bromanyl-5-methoxy-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2O3/c1-25-17-7-8-19(21)18(15-17)20(24)23-11-9-22(10-12-23)13-14-26-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3/p+1