[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone

Systemtic Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Openeye Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Traditional Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O/c1-2-27-16-14-25-23(27)18-26-15-6-9-22(17-26)24(28)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h3-5,7-8,10-14,16,22H,2,6,9,15,17-18H2,1H3/p+1/t22-/m0/s1