[4-(furan-2-ylcarbonyloxy)phenyl]methylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)azanium

Systemtic Name: [4-(furan-2-ylcarbonyloxy)phenyl]methylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)azanium Openeye Name: [4-(furan-2-carbonyloxy)phenyl]methylene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ammonium CAS Name: [4-[2-furanyl(oxo)methoxy]phenyl]methylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ammonium IUPAC Name: [4-(furan-2-carbonyloxy)phenyl]methylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)azanium Traditional Name: [4-(2-furoyloxy)benzylidene]-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ammonium Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N[NH+]=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3

Isomeric SMILES

C1CCC(=NCC1)N[NH+]=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3

InChI

InChI=1S/C18H19N3O3/c22-18(16-5-4-12-23-16)24-15-9-7-14(8-10-15)13-20-21-17-6-2-1-3-11-19-17/h4-5,7-10,12-13H,1-3,6,11H2,(H,19,21)/p+1