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

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5-[(4-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5-[(4-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-5-[(4-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5-[(4-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-5-(4-chlorobenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C23H27ClN5O+ MolecularWeight: 424.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN5O/c1-16-21(14-17-2-6-19(24)7-3-17)22(30)27-23(26-16)29-12-10-28(11-13-29)15-18-4-8-20(25)9-5-18/h2-9H,10-15,25H2,1H3,(H,26,27,30)/p+1