1-(3-azanylpropyl)-3-(4-chlorophenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 1-(3-azanylpropyl)-3-(4-chlorophenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 1-(3-aminopropyl)-3-(4-chlorophenyl)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 1-(3-aminopropyl)-3-(4-chlorophenyl)-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 1-(3-aminopropyl)-3-(4-chlorophenyl)-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 1-(3-aminopropyl)-3-(4-chlorophenyl)-4-oxido-quinoxalin-4-ium-2-one Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Cl)CCCN

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Cl)CCCN

InChI

InChI=1S/C17H16ClN3O2/c18-13-8-6-12(7-9-13)16-17(22)20(11-3-10-19)14-4-1-2-5-15(14)21(16)23/h1-2,4-9H,3,10-11,19H2