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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-4-14(2)15(18)13-19-9-11-20(12-10-19)16-7-5-6-8-17(16)21-3/h5-8,14-15H,4,9-13,18H2,1-3H3/p+2/t14-,15-/m0/s1