[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone

Systemtic Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Openeye Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone CAS Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(6-methoxy-2-naphthalenyl)methanone IUPAC Name: [(3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Traditional Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone Formula: C25H32N3O2+ MolecularWeight: 406.54048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC)C

InChI

InChI=1S/C25H31N3O2/c1-5-28-18(3)24(17(2)26-28)16-27-12-6-7-22(15-27)25(29)21-9-8-20-14-23(30-4)11-10-19(20)13-21/h8-11,13-14,22H,5-7,12,15-16H2,1-4H3/p+1/t22-/m0/s1