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

Systemtic Name: (3S,4S)-1-(3-pyrazol-1-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-(3-pyrazol-1-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[3-(1-pyrazolyl)propyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-(3-pyrazol-1-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(3-pyrazol-1-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C19H30N6O+2 MolecularWeight: 358.4811

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CCCN3C=CC=N3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CCCN3C=CC=N3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H28N6O/c26-18-16-22(8-4-10-25-9-3-7-21-25)15-17(18)23-11-13-24(14-12-23)19-5-1-2-6-20-19/h1-3,5-7,9,17-18,26H,4,8,10-16H2/p+2/t17-,18-/m0/s1