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

Systemtic Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-pentoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-pentoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-(2-pentoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-pentoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(2-amoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C18H33N3O+2 MolecularWeight: 307.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(C[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1[C@H](C[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C18H31N3O/c1-3-4-7-14-22-18-9-6-5-8-16(18)17(15-19)21-12-10-20(2)11-13-21/h5-6,8-9,17H,3-4,7,10-15,19H2,1-2H3/p+2/t17-/m0/s1