3-(2-azanyl-2-oxidanylidene-ethyl)-4-(furan-2-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(furan-2-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-furylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-(2-furanylmethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-(4-methoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(furan-2-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-furfuryl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C26H29N8O4+ MolecularWeight: 517.55966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CC[N+](C(C2)CC(=O)N)(CC3=CC=CO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CC[N+](C(C2)CC(=O)N)(CC3=CC=CO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C26H28N8O4/c1-37-21-6-4-19(5-7-21)30-26(36)32-12-13-34(17-22-3-2-14-38-22,20(16-32)15-23(27)35)24-8-9-29-25(31-24)33-11-10-28-18-33/h2-11,14,18,20H,12-13,15-17H2,1H3,(H2-,27,30,35,36)/p+1