[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-2-27-17-19(15-25-27)16-26-14-6-7-21(18-26)24(28)20-10-12-23(13-11-20)29-22-8-4-3-5-9-22/h3-5,8-13,15,17,21H,2,6-7,14,16,18H2,1H3/p+1/t21-/m0/s1