2-[(6S)-2,2-dimethyl-4-naphthalen-1-yl-5,6-dihydro-1H-pyrimidin-1-ium-6-yl]phenol

Systemtic Name: 2-[(6S)-2,2-dimethyl-4-naphthalen-1-yl-5,6-dihydro-1H-pyrimidin-1-ium-6-yl]phenol Openeye Name: 2-[(6S)-2,2-dimethyl-4-(1-naphthyl)-5,6-dihydro-1H-pyrimidin-1-ium-6-yl]phenol CAS Name: 2-[(6S)-2,2-dimethyl-4-(1-naphthalenyl)-5,6-dihydro-1H-pyrimidin-1-ium-6-yl]phenol IUPAC Name: 2-[(6S)-2,2-dimethyl-4-naphthalen-1-yl-5,6-dihydro-1H-pyrimidin-1-ium-6-yl]phenol Traditional Name: 2-[(6S)-2,2-dimethyl-4-(1-naphthyl)-5,6-dihydro-1H-pyrimidin-1-ium-6-yl]phenol Formula: C22H23N2O+ MolecularWeight: 331.43082

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Descriptors Computed from Structure

Canonical SMILES:

CC1([NH2+]C(CC(=N1)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4O)C

Isomeric SMILES

CC1([NH2+][C@@H](CC(=N1)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4O)C

InChI

InChI=1S/C22H22N2O/c1-22(2)23-19(14-20(24-22)18-11-5-6-13-21(18)25)17-12-7-9-15-8-3-4-10-16(15)17/h3-13,20,24-25H,14H2,1-2H3/p+1/t20-/m0/s1