2-[3-(azocan-1-ium-1-ylmethyl)phenyl]-6-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-(azocan-1-ium-1-ylmethyl)phenyl]-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 2-[3-(azocan-1-ium-1-ylmethyl)phenyl]-6-isopropyl-1H-pyrimidin-4-one CAS Name: 2-[3-(1-azocan-1-iumylmethyl)phenyl]-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-[3-(azocan-1-ium-1-ylmethyl)phenyl]-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 2-[3-(azocan-1-ium-1-ylmethyl)phenyl]-6-isopropyl-1H-pyrimidin-4-one Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCCCCCC3

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C21H29N3O/c1-16(2)19-14-20(25)23-21(22-19)18-10-8-9-17(13-18)15-24-11-6-4-3-5-7-12-24/h8-10,13-14,16H,3-7,11-12,15H2,1-2H3,(H,22,23,25)/p+1