(2S)-N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-phenoxy-propanamide

Systemtic Name: (2S)-N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-phenoxy-propanamide Openeye Name: (2S)-N-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenoxy-propanamide CAS Name: (2S)-N-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenoxypropanamide IUPAC Name: (2S)-N-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenoxypropanamide Traditional Name: (2S)-N-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenoxy-propionamide Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N[N+]1=C(C2=CC=CC=C2C1)N)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N[N+]1=C(C2=CC=CC=C2C1)N)OC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2/c1-12(22-14-8-3-2-4-9-14)17(21)19-20-11-13-7-5-6-10-15(13)16(20)18/h2-10,12,18H,11H2,1H3,(H,19,21)/p+1/t12-/m0/s1