2-azanyl-1-(3-morpholin-4-ium-4-ylpropyl)-N-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3-morpholin-4-ium-4-ylpropyl)-N-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-benzyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[3-(4-morpholin-4-iumyl)propyl]-N-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-benzyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-benzyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CC=C5)N

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CC=C5)N

InChI

InChI=1S/C25H28N6O2/c26-23-21(25(32)27-17-18-7-2-1-3-8-18)22-24(29-20-10-5-4-9-19(20)28-22)31(23)12-6-11-30-13-15-33-16-14-30/h1-5,7-10H,6,11-17,26H2,(H,27,32)/p+1