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

Systemtic Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Openeye Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Traditional Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Formula: C24H28N3O+ MolecularWeight: 374.49862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O/c1-2-27-17-19(15-25-27)16-26-14-6-9-23(18-26)24(28)22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-5,7-8,10-13,15,17,23H,2,6,9,14,16,18H2,1H3/p+1/t23-/m0/s1