1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[(1,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: acenaphthen-5-yl-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCCC(C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC[C@@H](C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C24H27N3O/c1-16-20(13-25-26(16)2)15-27-12-4-6-19(14-27)24(28)22-11-10-18-9-8-17-5-3-7-21(22)23(17)18/h3,5,7,10-11,13,19H,4,6,8-9,12,14-15H2,1-2H3/p+1/t19-/m0/s1