[(2S,3S)-3-methylpentan-2-yl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(2S,3S)-3-methylpentan-2-yl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(1S,2S)-1,2-dimethylbutyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(2S,3S)-3-methylpentan-2-yl]-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(2S,3S)-3-methylpentan-2-yl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(1S,2S)-1,2-dimethylbutyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C14H33N3+2 MolecularWeight: 243.43192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)[NH2+]CCCN1CC[NH+](CC1)C

Isomeric SMILES

CC[C@H](C)[C@H](C)[NH2+]CCCN1CC[NH+](CC1)C

InChI

InChI=1S/C14H31N3/c1-5-13(2)14(3)15-7-6-8-17-11-9-16(4)10-12-17/h13-15H,5-12H2,1-4H3/p+2/t13-,14-/m0/s1