(4-iodophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-iodophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-iodophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-iodophenyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-iodophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-iodophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C19H22IN2O2+ MolecularWeight: 437.29465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C19H21IN2O2/c20-17-8-6-16(7-9-17)19(23)22-12-10-21(11-13-22)14-15-24-18-4-2-1-3-5-18/h1-9H,10-15H2/p+1