6-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)C4=CC(=O)N=CN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)C4=CC(=O)N=CN4

InChI

InChI=1S/C18H21N3O/c22-18-10-17(19-12-20-18)15-6-3-7-21(11-15)16-8-13-4-1-2-5-14(13)9-16/h1-2,4-5,10,12,15-16H,3,6-9,11H2,(H,19,20,22)/p+1/t15-/m0/s1