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

Systemtic Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Openeye Name: [(3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone CAS Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(6-methoxy-2-naphthalenyl)methanone IUPAC Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Traditional Name: [(3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone Formula: C26H34N3O2+ MolecularWeight: 420.56706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C26H33N3O2/c1-17(2)29-19(4)25(18(3)27-29)16-28-12-6-7-23(15-28)26(30)22-9-8-21-14-24(31-5)11-10-20(21)13-22/h8-11,13-14,17,23H,6-7,12,15-16H2,1-5H3/p+1/t23-/m0/s1