[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-[2-(cyclohexen-1-yl)ethyl]azanium

Systemtic Name: [1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-[2-(cyclohexen-1-yl)ethyl]azanium Openeye Name: [1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxo-pyrrolidin-3-yl]-[2-(cyclohexen-1-yl)ethyl]ammonium CAS Name: [1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxo-3-pyrrolidinyl]-[2-(1-cyclohexenyl)ethyl]ammonium IUPAC Name: [1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-[2-(cyclohexen-1-yl)ethyl]azanium Traditional Name: [1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-diketo-pyrrolidin-3-yl]-[2-(cyclohexen-1-yl)ethyl]ammonium Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH2+]C2CC(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(=CC1)CC[NH2+]C2CC(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H25N3O3/c29-23-16-21(26-15-14-17-6-2-1-3-7-17)25(30)28(23)19-12-10-18(11-13-19)24-27-20-8-4-5-9-22(20)31-24/h4-6,8-13,21,26H,1-3,7,14-16H2/p+1