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

Systemtic Name: [(2R,3S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-ium-1-yl]pentan-2-yl]azanium Openeye Name: [(1R,2S)-2-methyl-1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]butyl]ammonium CAS Name: [(2R,3S)-3-methyl-1-[4-(3-methylphenyl)-1-piperazin-1-iumyl]pentan-2-yl]ammonium IUPAC Name: [(2R,3S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-ium-1-yl]pentan-2-yl]azanium Traditional Name: [(1R,2S)-2-methyl-1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]butyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3/c1-4-15(3)17(18)13-19-8-10-20(11-9-19)16-7-5-6-14(2)12-16/h5-7,12,15,17H,4,8-11,13,18H2,1-3H3/p+2/t15-,17-/m0/s1