dimethyl-[2-[3-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)phenoxy]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)phenoxy]ethyl]azanium Openeye Name: dimethyl-[2-[3-(3-oxo-3-piperazin-4-ium-1-yl-propyl)phenoxy]ethyl]ammonium CAS Name: dimethyl-[2-[3-[3-oxo-3-(1-piperazin-4-iumyl)propyl]phenoxy]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-(3-oxo-3-piperazin-4-ium-1-ylpropyl)phenoxy]ethyl]azanium Traditional Name: 2-[3-(3-keto-3-piperazin-4-ium-1-yl-propyl)phenoxy]ethyl-dimethyl-ammonium Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=CC(=C1)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

C[NH+](C)CCOC1=CC=CC(=C1)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O2/c1-19(2)12-13-22-16-5-3-4-15(14-16)6-7-17(21)20-10-8-18-9-11-20/h3-5,14,18H,6-13H2,1-2H3/p+2