6-azanyl-5-[2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanoyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanoyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-oxoethyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-quinone Formula: C22H30N5O5+ MolecularWeight: 444.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)NC3=O)CCOC)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)NC3=O)CCOC)N

InChI

InChI=1S/C22H29N5O5/c1-3-15-4-6-16(7-5-15)21(30)26-10-8-25(9-11-26)14-17(28)18-19(23)27(12-13-32-2)22(31)24-20(18)29/h4-7H,3,8-14,23H2,1-2H3,(H,24,29,31)/p+1