(2S)-3-methyl-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-butan-1-one

Systemtic Name: (2S)-3-methyl-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-butan-1-one Openeye Name: (2S)-3-methyl-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-butan-1-one CAS Name: (2S)-3-methyl-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)-1-butanone IUPAC Name: (2S)-3-methyl-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylbutan-1-one Traditional Name: (2S)-3-methyl-1-piperazino-2-pyrrolidin-1-ium-1-yl-butan-1-one Formula: C13H26N3O+ MolecularWeight: 240.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCNCC1)[NH+]2CCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCNCC1)[NH+]2CCCC2

InChI

InChI=1S/C13H25N3O/c1-11(2)12(15-7-3-4-8-15)13(17)16-9-5-14-6-10-16/h11-12,14H,3-10H2,1-2H3/p+1/t12-/m0/s1