[(2S)-heptan-2-yl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(1S)-1-methylhexyl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[2-methyl-2-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(1S)-1-methylhexyl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C16H37N3+2 MolecularWeight: 271.48508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CC(C)(C)N1CC[NH+](CC1)C

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](CC1)C

InChI

InChI=1S/C16H35N3/c1-6-7-8-9-15(2)17-14-16(3,4)19-12-10-18(5)11-13-19/h15,17H,6-14H2,1-5H3/p+2/t15-/m0/s1