[(2R)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]azanium

Systemtic Name: [(2R)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]azanium Openeye Name: [(2R)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]ammonium CAS Name: [(2R)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butyl]ammonium IUPAC Name: [(2R)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]azanium Traditional Name: [(2R)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3/c1-3-14(12-16)17-7-9-18(10-8-17)15-6-4-5-13(2)11-15/h4-6,11,14H,3,7-10,12,16H2,1-2H3/p+2/t14-/m1/s1