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

Systemtic Name: N-[2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(2S)-1-methoxypropan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@@H](COC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O3/c1-17(16-27-2)24-13-9-18(10-14-24)25-20(8-12-22-25)23-21(26)11-15-28-19-6-4-3-5-7-19/h3-8,12,17-18H,9-11,13-16H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1