N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1H-pyrazole-4-carboxamide

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1H-pyrazole-4-carboxamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1H-pyrazole-4-carboxamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-1H-pyrazole-4-carboxamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1H-pyrazole-4-carboxamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]-1H-pyrazole-4-carboxamide Formula: C19H23N7O+2 MolecularWeight: 365.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CNN=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CNN=C4

InChI

InChI=1S/C19H21N7O/c27-19(16-13-23-24-14-16)22-12-15-4-3-7-21-18(15)26-10-8-25(9-11-26)17-5-1-2-6-20-17/h1-7,13-14H,8-12H2,(H,22,27)(H,23,24)/p+2