2-[4-[[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methyl]piperazin-4-ium-1-yl]pyrazine

Systemtic Name: 2-[4-[[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methyl]piperazin-4-ium-1-yl]pyrazine Openeye Name: 2-[4-[[(3S)-1-pyridin-1-ium-2-yl-3-piperidyl]methyl]piperazin-4-ium-1-yl]pyrazine CAS Name: 2-[4-[[(3S)-1-(2-pyridin-1-iumyl)-3-piperidinyl]methyl]-1-piperazin-4-iumyl]pyrazine IUPAC Name: 2-[4-[[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methyl]piperazin-4-ium-1-yl]pyrazine Traditional Name: 2-[4-[[(3S)-1-pyridin-1-ium-2-yl-3-piperidyl]methyl]piperazin-4-ium-1-yl]pyrazine Formula: C19H28N6+2 MolecularWeight: 340.46582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC=[NH+]2)C[NH+]3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC=[NH+]2)C[NH+]3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C19H26N6/c1-2-6-21-18(5-1)25-9-3-4-17(16-25)15-23-10-12-24(13-11-23)19-14-20-7-8-22-19/h1-2,5-8,14,17H,3-4,9-13,15-16H2/p+2/t17-/m1/s1