6-methyl-2-[2-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[2-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[2-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[2-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[2-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-18-16-22(28)25-23(24-18)21-11-6-5-8-19(21)17-26-12-7-13-27(15-14-26)20-9-3-2-4-10-20/h2-6,8-11,16H,7,12-15,17H2,1H3,(H,24,25,28)/p+1