4-methyl-6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyrimidin-1-ium-2-amine

Systemtic Name: 4-methyl-6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyrimidin-1-ium-2-amine Openeye Name: 4-methyl-6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyrimidin-1-ium-2-amine CAS Name: 4-methyl-6-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-pyrimidin-1-iumamine IUPAC Name: 4-methyl-6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyrimidin-1-ium-2-amine Traditional Name: [4-methyl-6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyrimidin-1-ium-2-yl]amine Formula: C17H25N5O+2 MolecularWeight: 315.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C17H23N5O/c1-14-13-16(20-17(18)19-14)22-9-7-21(8-10-22)11-12-23-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H2,18,19,20)/p+2