(E)-(6-chloranyl-2-phenyl-chromen-4-ylidene)-(4-pyrrolidin-1-ylphenyl)azanium

Systemtic Name: (E)-(6-chloranyl-2-phenyl-chromen-4-ylidene)-(4-pyrrolidin-1-ylphenyl)azanium Openeye Name: (E)-(6-chloro-2-phenyl-chromen-4-ylidene)-(4-pyrrolidin-1-ylphenyl)ammonium CAS Name: (E)-(6-chloro-2-phenyl-1-benzopyran-4-ylidene)-[4-(1-pyrrolidinyl)phenyl]ammonium IUPAC Name: (E)-(6-chloro-2-phenylchromen-4-ylidene)-(4-pyrrolidin-1-ylphenyl)azanium Traditional Name: (E)-(6-chloro-2-phenyl-chromen-4-ylidene)-(4-pyrrolidinophenyl)ammonium Formula: C25H22ClN2O+ MolecularWeight: 401.90798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)[NH+]=C3C=C(OC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)/[NH+]=C/3\C=C(OC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H21ClN2O/c26-19-8-13-24-22(16-19)23(17-25(29-24)18-6-2-1-3-7-18)27-20-9-11-21(12-10-20)28-14-4-5-15-28/h1-3,6-13,16-17H,4-5,14-15H2/p+1/b27-23+