4-(3-piperidin-1-ium-1-ylpropylamino)chromen-2-one

Systemtic Name: 4-(3-piperidin-1-ium-1-ylpropylamino)chromen-2-one Openeye Name: 4-(3-piperidin-1-ium-1-ylpropylamino)chromen-2-one CAS Name: 4-[3-(1-piperidin-1-iumyl)propylamino]-1-benzopyran-2-one IUPAC Name: 4-(3-piperidin-1-ium-1-ylpropylamino)chromen-2-one Traditional Name: 4-(3-piperidin-1-ium-1-ylpropylamino)coumarin Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC2=CC(=O)OC3=CC=CC=C32

Isomeric SMILES

C1CC[NH+](CC1)CCCNC2=CC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C17H22N2O2/c20-17-13-15(14-7-2-3-8-16(14)21-17)18-9-6-12-19-10-4-1-5-11-19/h2-3,7-8,13,18H,1,4-6,9-12H2/p+1