1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine

Systemtic Name: 1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine Openeye Name: 1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine CAS Name: 1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine IUPAC Name: 1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine Traditional Name: [1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-pyrrolin-1-ium-2-yl]amine Formula: C13H27N3+2 MolecularWeight: 225.37358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[N+]2=C(CCC2)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[N+]2=C(CCC2)N

InChI

InChI=1S/C13H25N3/c1-12-6-2-3-8-15(12)10-5-11-16-9-4-7-13(16)14/h12,14H,2-11H2,1H3/p+2/t12-/m0/s1