[(2S)-5-methylhexan-2-yl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[2-methyl-2-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H35N3/c1-14(2)7-8-15(3)17-13-16(4,5)19-11-9-18(6)10-12-19/h14-15,17H,7-13H2,1-6H3/p+2/t15-/m0/s1