[(2R)-2-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(4-isobutylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(2-methoxyphenyl)-2-[4-(2-methylpropyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(4-isobutylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)ethyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-14(2)13-19-8-10-20(11-9-19)16(12-18)15-6-4-5-7-17(15)21-3/h4-7,14,16H,8-13,18H2,1-3H3/p+2/t16-/m0/s1