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

Systemtic Name: dimethyl-[2-[3-[(E)-3-oxidanylidene-3-piperazin-4-ium-1-yl-prop-1-enyl]phenoxy]ethyl]azanium Openeye Name: dimethyl-[2-[3-[(E)-3-oxo-3-piperazin-4-ium-1-yl-prop-1-enyl]phenoxy]ethyl]ammonium CAS Name: dimethyl-[2-[3-[(E)-3-oxo-3-(1-piperazin-4-iumyl)prop-1-enyl]phenoxy]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[(E)-3-oxo-3-piperazin-4-ium-1-ylprop-1-enyl]phenoxy]ethyl]azanium Traditional Name: 2-[3-[(E)-3-keto-3-piperazin-4-ium-1-yl-prop-1-enyl]phenoxy]ethyl-dimethyl-ammonium Formula: C17H27N3O2+2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2/c1-19(2)12-13-22-16-5-3-4-15(14-16)6-7-17(21)20-10-8-18-9-11-20/h3-7,14,18H,8-13H2,1-2H3/p+2/b7-6+