(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-piperazino-propan-1-one Formula: C13H27N4O+ MolecularWeight: 255.37968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)N2CCC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C(=O)N1CCNCC1)N2CCC[NH+](CC2)C

InChI

InChI=1S/C13H26N4O/c1-12(13(18)17-8-4-14-5-9-17)16-7-3-6-15(2)10-11-16/h12,14H,3-11H2,1-2H3/p+1/t12-/m0/s1