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

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Formula: C18H26N5O2+ MolecularWeight: 344.43134

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2/c1-13-16(6-11-24)17(25)21-18(20-13)23-9-7-22(8-10-23)12-14-2-4-15(19)5-3-14/h2-5,24H,6-12,19H2,1H3,(H,20,21,25)/p+1