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

Systemtic Name: 2-[4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-6-(2-methoxyethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-6-(2-methoxyethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-6-(2-methoxyethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-6-(2-methoxyethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]-6-(2-methoxyethyl)-1H-pyrimidin-4-one Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CCOC

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CCOC

InChI

InChI=1S/C21H28N4O3/c1-16(26)25-10-3-9-24(11-12-25)15-17-4-6-18(7-5-17)21-22-19(8-13-28-2)14-20(27)23-21/h4-7,14H,3,8-13,15H2,1-2H3,(H,22,23,27)/p+1