2-oxidanyl-2-phenyl-4,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-ium-6-carboxamide; phenethylazanide

Systemtic Name: 2-oxidanyl-2-phenyl-4,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-ium-6-carboxamide; phenethylazanide Openeye Name: 2-hydroxy-2-phenyl-4,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-ium-6-carboxamide; phenethylazanide CAS Name: 2-hydroxy-2-phenyl-4,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-ium-6-carboxamide; phenethylazanide IUPAC Name: 2-hydroxy-2-phenyl-4,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-ium-6-carboxamide; phenethylazanide Traditional Name: 2-hydroxy-2-phenyl-4,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-ium-6-carboxamide; phenethylazanide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C[N+](CCN2C1C(=O)N)(C3=CC=CC=C3)O.C1=CC=C(C=C1)CC[NH-]

Isomeric SMILES

C1CC2=C[N+](CCN2C1C(=O)N)(C3=CC=CC=C3)O.C1=CC=C(C=C1)CC[NH-]

InChI

InChI=1S/C14H17N3O2.C8H10N/c15-14(18)13-7-6-11-10-17(19,9-8-16(11)13)12-4-2-1-3-5-12;9-7-6-8-4-2-1-3-5-8/h1-5,10,13,19H,6-9H2,(H-,15,18);1-5,9H,6-7H2/q;-1/p+1