(2S)-1-[(3S)-3-methylpiperidin-1-yl]-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-[(3S)-3-methylpiperidin-1-yl]-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-[(3S)-3-methyl-1-piperidyl]-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-[(3S)-3-methyl-1-piperidinyl]-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-[(3S)-3-methylpiperidin-1-yl]-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-[(3S)-3-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:

CC1CCCN(C1)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)[C@H](C)N2CC[NH2+]CC2

InChI

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