(2S)-1-(4-methylpiperidin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(4-methylpiperidin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(4-methyl-1-piperidyl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(4-methyl-1-piperidinyl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-methylpiperidin-1-yl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(4-methylpiperidino)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C13H26N3O+ MolecularWeight: 240.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)N2CC[NH2+]CC2

InChI

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