6-butyl-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-butyl-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-butyl-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-butyl-2-[4-[[(3S)-3-methoxy-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-butyl-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-butyl-2-[4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCC(C3)OC

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC[C@@H](C3)OC

InChI

InChI=1S/C21H29N3O2/c1-3-4-6-18-13-20(25)23-21(22-18)17-10-8-16(9-11-17)14-24-12-5-7-19(15-24)26-2/h8-11,13,19H,3-7,12,14-15H2,1-2H3,(H,22,23,25)/p+1/t19-/m0/s1