(2S)-2-methyl-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: (2S)-2-methyl-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: (2S)-2-methyl-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: (2S)-2-methyl-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2S)-2-methyl-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: (2S)-2-methyl-1-piperazin-4-ium-1-yl-butan-1-one Formula: C9H19N2O+ MolecularWeight: 171.25996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CC[NH2+]CC1

Isomeric SMILES

CC[C@H](C)C(=O)N1CC[NH2+]CC1

InChI

InChI=1S/C9H18N2O/c1-3-8(2)9(12)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3/p+1/t8-/m0/s1