[(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-(4-ethyl-1-piperazin-4-iumyl)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-phenyl-butyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)[NH3+])N2CC[NH+](CC2)CC

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-3-15(16(17)14-8-6-5-7-9-14)19-12-10-18(4-2)11-13-19/h5-9,15-16H,3-4,10-13,17H2,1-2H3/p+2/t15-,16-/m1/s1