6-phenethyl-2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-phenethyl-2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-phenethyl-2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-phenethyl-2-[3-(1-piperazin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-phenethyl-2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-phenethyl-2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c28-22-16-21(10-9-18-5-2-1-3-6-18)25-23(26-22)20-8-4-7-19(15-20)17-27-13-11-24-12-14-27/h1-8,15-16,24H,9-14,17H2,(H,25,26,28)/p+1