6-azanyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-3-methylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-3-methyl-pyrimidine-2,4-quinone Formula: C25H30N5O4+ MolecularWeight: 464.5368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H29N5O4/c1-27-24(32)22(23(26)30(25(27)33)16-18-8-4-3-5-9-18)20(31)17-28-12-14-29(15-13-28)19-10-6-7-11-21(19)34-2/h3-11H,12-17,26H2,1-2H3/p+1