(3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(2-pyridylmethyl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-(2-pyridinylmethyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazino)-1-(2-pyridylmethyl)pyrrolidin-1-ium-3-ol Formula: C19H27N5O+2 MolecularWeight: 341.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=CC=CC=N3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC3=CC=CC=N3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H25N5O/c25-18-15-22(13-16-5-1-3-7-20-16)14-17(18)23-9-11-24(12-10-23)19-6-2-4-8-21-19/h1-8,17-18,25H,9-15H2/p+2/t17-,18-/m0/s1