(3S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCCC(C4)C(=O)N

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCC[C@@H](C4)C(=O)N

InChI

InChI=1S/C23H26N4O2/c1-26-14-19(16-27-13-5-6-18(15-27)23(24)28)22(25-26)17-9-11-21(12-10-17)29-20-7-3-2-4-8-20/h2-4,7-12,14,18H,5-6,13,15-16H2,1H3,(H2,24,28)/p+1/t18-/m0/s1