1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-propyl-benzimidazol-1-ium-5-carboxamide

Systemtic Name: 1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-propyl-benzimidazol-1-ium-5-carboxamide Openeye Name: 1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-propyl-benzimidazol-1-ium-5-carboxamide CAS Name: 1-amino-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-propyl-5-benzimidazol-1-iumcarboxamide IUPAC Name: 1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-propylbenzimidazol-1-ium-5-carboxamide Traditional Name: 1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-propyl-benzimidazol-1-ium-5-carboxamide Formula: C23H26N7O+ MolecularWeight: 416.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)N

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)N

InChI

InChI=1S/C23H25N7O/c1-3-12-25-22(31)18-9-10-20-19(14-18)27-15-30(20,24)21-11-13-26-23(29-21)28-16(2)17-7-5-4-6-8-17/h4-11,13-16H,3,12,24H2,1-2H3,(H-,25,26,28,29,31)/p+1