2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)N)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)N)C

InChI

InChI=1S/C17H23N5O/c1-12-13(2)19-17(20-16(12)23)22-9-7-21(8-10-22)11-14-3-5-15(18)6-4-14/h3-6H,7-11,18H2,1-2H3,(H,19,20,23)/p+1