[(2R)-2-(2-hexoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(2-hexoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(2-hexoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(2-hexoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(2-hexoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(2-hexoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C19H35N3O+2 MolecularWeight: 321.5007

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(C[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1[C@H](C[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C19H33N3O/c1-3-4-5-8-15-23-19-10-7-6-9-17(19)18(16-20)22-13-11-21(2)12-14-22/h6-7,9-10,18H,3-5,8,11-16,20H2,1-2H3/p+2/t18-/m0/s1