(2-oxidanylchromen-4-ylidene)-[3-[(phenylmethyl)azaniumyl]propyl]azanium

Systemtic Name: (2-oxidanylchromen-4-ylidene)-[3-[(phenylmethyl)azaniumyl]propyl]azanium Openeye Name: benzyl-[3-(2-hydroxychromen-4-ylidene)ammoniopropyl]ammonium CAS Name: (2-hydroxy-1-benzopyran-4-ylidene)-[3-[(phenylmethyl)ammonio]propyl]ammonium IUPAC Name: benzyl-[3-(2-hydroxychromen-4-ylidene)azaniumylpropyl]azanium Traditional Name: benzyl-[3-(2-hydroxychromen-4-ylidene)ammoniopropyl]ammonium Formula: C19H22N2O2+2 MolecularWeight: 310.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCC[NH+]=C2C=C(OC3=CC=CC=C32)O

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCC[NH+]=C2C=C(OC3=CC=CC=C32)O

InChI

InChI=1S/C19H20N2O2/c22-19-13-17(16-9-4-5-10-18(16)23-19)21-12-6-11-20-14-15-7-2-1-3-8-15/h1-5,7-10,13,20,22H,6,11-12,14H2/p+2