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

Systemtic Name: [(2R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-4-methyl-pentan-2-yl]azanium Openeye Name: [(1R)-1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-butyl]ammonium CAS Name: [(2R)-1-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-4-methylpentan-2-yl]ammonium IUPAC Name: [(2R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-4-methylpentan-2-yl]azanium Traditional Name: [(1R)-1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-butyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-14(2)11-15(18)13-19-7-9-20(10-8-19)16-5-4-6-17(12-16)21-3/h4-6,12,14-15H,7-11,13,18H2,1-3H3/p+2/t15-/m1/s1