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

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-phenyl-1H-pyrimidin-4-one Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O/c22-18-8-6-16(7-9-18)15-25-10-12-26(13-11-25)21-23-19(14-20(27)24-21)17-4-2-1-3-5-17/h1-9,14H,10-13,15,22H2,(H,23,24,27)/p+1