N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(1-ethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C23H31N6O2+ MolecularWeight: 423.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H30N6O2/c1-2-28-18-19(16-25-28)17-27-13-9-20(10-14-27)29-22(8-12-24-29)26-23(30)11-15-31-21-6-4-3-5-7-21/h3-8,12,16,18,20H,2,9-11,13-15,17H2,1H3,(H,26,30)/p+1