1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C24H27N3O/c28-24(22-11-10-19-9-8-18-5-1-7-21(22)23(18)19)20-6-2-13-26(17-20)14-4-16-27-15-3-12-25-27/h1,3,5,7,10-12,15,20H,2,4,6,8-9,13-14,16-17H2/p+1/t20-/m0/s1