[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone

Systemtic Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Openeye Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone CAS Name: [(3S)-1-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(6-methoxy-2-naphthalenyl)methanone IUPAC Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Traditional Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC)C

InChI

InChI=1S/C23H27N3O2/c1-16-21(13-25(2)24-16)15-26-10-4-5-20(14-26)23(27)19-7-6-18-12-22(28-3)9-8-17(18)11-19/h6-9,11-13,20H,4-5,10,14-15H2,1-3H3/p+1/t20-/m0/s1