(4-dimethylaminophenyl)methyl-(3-imidazol-1-ylpropyl)-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-(3-imidazol-1-ylpropyl)-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-(3-imidazol-1-ylpropyl)-[(6-methyl-4-oxo-chromen-3-yl)methyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[3-(1-imidazolyl)propyl]-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-(3-imidazol-1-ylpropyl)-[(6-methyl-4-oxochromen-3-yl)methyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-(3-imidazol-1-ylpropyl)-[(4-keto-6-methyl-chromen-3-yl)methyl]ammonium Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+](CCCN3C=CN=C3)CC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+](CCCN3C=CN=C3)CC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H30N4O2/c1-20-5-10-25-24(15-20)26(31)22(18-32-25)17-30(13-4-12-29-14-11-27-19-29)16-21-6-8-23(9-7-21)28(2)3/h5-11,14-15,18-19H,4,12-13,16-17H2,1-3H3/p+1