[(2R)-2-(2-butoxy-5-chloranyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(2-butoxy-5-chloranyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(2-butoxy-5-chloro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(2-butoxy-5-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(2-butoxy-5-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(2-butoxy-5-chloro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C17H30ClN3O+2 MolecularWeight: 327.8926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)C(C[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)[C@H](C[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C17H28ClN3O/c1-3-4-11-22-17-6-5-14(18)12-15(17)16(13-19)21-9-7-20(2)8-10-21/h5-6,12,16H,3-4,7-11,13,19H2,1-2H3/p+2/t16-/m0/s1