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

Systemtic Name: 4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]chromen-2-one Openeye Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]chromen-2-one CAS Name: 4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-1-benzopyran-2-one IUPAC Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]chromen-2-one Traditional Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]coumarin Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=CC(=O)OC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=CC(=O)OC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2/c24-21-14-19(18-8-4-5-9-20(18)25-21)22-17-10-12-23(13-11-17)15-16-6-2-1-3-7-16/h1-9,14,17,22H,10-13,15H2/p+1