[(2R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methyl-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methyl-butan-2-yl]azanium Openeye Name: [(1R)-1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-propyl]ammonium CAS Name: [(2R)-1-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-3-methylbutan-2-yl]ammonium IUPAC Name: [(2R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methylbutan-2-yl]azanium Traditional Name: [(1R)-1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-propyl]ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-13(2)16(17)12-18-7-9-19(10-8-18)14-5-4-6-15(11-14)20-3/h4-6,11,13,16H,7-10,12,17H2,1-3H3/p+2/t16-/m0/s1