(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Formula: C14H22N4O+2 MolecularWeight: 262.35068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H20N4O/c19-14(12-4-3-7-15-12)18-10-8-17(9-11-18)13-5-1-2-6-16-13/h1-2,5-6,12,15H,3-4,7-11H2/p+2/t12-/m0/s1