dimethyl-[2-[4-(4-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[4-(4-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]azanium Openeye Name: dimethyl-[2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]ethyl]ammonium CAS Name: dimethyl-[2-[4-[oxo-(4-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]ethyl]azanium Traditional Name: dimethyl-[2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]ethyl]ammonium Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-22(2)12-13-23-14-16-24(17-15-23)21(25)18-8-10-20(11-9-18)26-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3/p+2