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

Systemtic Name: [(1R,2R)-3-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-3-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-3-methyl-2-(4-methyl-1-piperazin-4-iumyl)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-3-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-3-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-butyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-13(2)16(19-11-9-18(3)10-12-19)15(17)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12,17H2,1-3H3/p+2/t15-,16-/m1/s1