methyl-[3-(3-methylbutylcarbamoylamino)-2-oxidanyl-chromen-4-ylidene]azanium

Systemtic Name: methyl-[3-(3-methylbutylcarbamoylamino)-2-oxidanyl-chromen-4-ylidene]azanium Openeye Name: [2-hydroxy-3-(isopentylcarbamoylamino)chromen-4-ylidene]-methyl-ammonium CAS Name: [2-hydroxy-3-[[(3-methylbutylamino)-oxomethyl]amino]-1-benzopyran-4-ylidene]-methylammonium IUPAC Name: [2-hydroxy-3-(3-methylbutylcarbamoylamino)chromen-4-ylidene]-methylazanium Traditional Name: [2-hydroxy-3-(isoamylcarbamoylamino)chromen-4-ylidene]-methyl-ammonium Formula: C16H22N3O3+ MolecularWeight: 304.36418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC1=C(OC2=CC=CC=C2C1=[NH+]C)O

Isomeric SMILES

CC(C)CCNC(=O)NC1=C(OC2=CC=CC=C2C1=[NH+]C)O

InChI

InChI=1S/C16H21N3O3/c1-10(2)8-9-18-16(21)19-14-13(17-3)11-6-4-5-7-12(11)22-15(14)20/h4-7,10,20H,8-9H2,1-3H3,(H2,18,19,21)/p+1