4-[(1-phenethylpiperidin-1-ium-4-yl)amino]chromen-2-one

Systemtic Name: 4-[(1-phenethylpiperidin-1-ium-4-yl)amino]chromen-2-one Openeye Name: 4-[(1-phenethylpiperidin-1-ium-4-yl)amino]chromen-2-one CAS Name: 4-[(1-phenethyl-4-piperidin-1-iumyl)amino]-1-benzopyran-2-one IUPAC Name: 4-[(1-phenethylpiperidin-1-ium-4-yl)amino]chromen-2-one Traditional Name: 4-[(1-phenethylpiperidin-1-ium-4-yl)amino]coumarin Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=CC(=O)OC3=CC=CC=C32)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=CC(=O)OC3=CC=CC=C32)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2/c25-22-16-20(19-8-4-5-9-21(19)26-22)23-18-11-14-24(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,16,18,23H,10-15H2/p+1