3-imidazol-1-ylpropyl-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-[(2-methylphenyl)methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-[(2-methylphenyl)methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(6-methyl-4-oxo-chromen-3-yl)methyl]-(o-tolylmethyl)ammonium CAS Name: 3-(1-imidazolyl)propyl-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-[(2-methylphenyl)methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(6-methyl-4-oxochromen-3-yl)methyl]-[(2-methylphenyl)methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[(4-keto-6-methyl-chromen-3-yl)methyl]-(2-methylbenzyl)ammonium Formula: C25H28N3O2+ MolecularWeight: 402.50872

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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=CC=C4C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+](CCCN3C=CN=C3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H27N3O2/c1-19-8-9-24-23(14-19)25(29)22(17-30-24)16-28(12-5-11-27-13-10-26-18-27)15-21-7-4-3-6-20(21)2/h3-4,6-10,13-14,17-18H,5,11-12,15-16H2,1-2H3/p+1