[(1R,2R)-3-methyl-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(1R,2R)-3-methyl-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(1R,2R)-3-methyl-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(1R,2R)-3-methyl-1-phenyl-2-(4-propyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(1R,2R)-3-methyl-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(1R,2R)-3-methyl-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(C(C)C)C(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

CCC[NH+]1CCN(CC1)[C@@H]([C@@H](C2=CC=CC=C2)[NH3+])C(C)C

InChI

InChI=1S/C18H31N3/c1-4-10-20-11-13-21(14-12-20)18(15(2)3)17(19)16-8-6-5-7-9-16/h5-9,15,17-18H,4,10-14,19H2,1-3H3/p+2/t17-,18-/m1/s1