[(2S)-4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-propyl]ammonium CAS Name: [(2S)-4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butan-2-yl]azanium Traditional Name: [(1S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-propyl]ammonium Formula: C15H27N3O+2 MolecularWeight: 265.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=CC=C2OC)[NH3+]

Isomeric SMILES

C[C@@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2OC)[NH3+]

InChI

InChI=1S/C15H25N3O/c1-13(16)7-8-17-9-11-18(12-10-17)14-5-3-4-6-15(14)19-2/h3-6,13H,7-12,16H2,1-2H3/p+2/t13-/m0/s1