[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-[(1,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O/c1-16-19(13-23-24(16)2)15-25-12-6-9-18(14-25)22(26)21-11-5-8-17-7-3-4-10-20(17)21/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3/p+1/t18-/m0/s1