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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(2S)-pentan-2-yl]azanium Openeye Name: [(1S)-1-methylbutyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)propyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(2S)-pentan-2-yl]azanium Traditional Name: [(1S)-1-methylbutyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C13H31N3+2 MolecularWeight: 229.40534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N3/c1-4-6-13(2)14-7-5-8-16-11-9-15(3)10-12-16/h13-14H,4-12H2,1-3H3/p+2/t13-/m0/s1