(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazino-propan-1-one Formula: C13H26N3O+ MolecularWeight: 240.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)N2CCNCC2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)N2CCNCC2

InChI

InChI=1S/C13H25N3O/c1-11-4-3-7-16(10-11)12(2)13(17)15-8-5-14-6-9-15/h11-12,14H,3-10H2,1-2H3/p+1/t11-,12-/m0/s1