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

Systemtic Name: 3-azanyl-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]chromen-2-one Openeye Name: 3-amino-4-[(1-benzylpiperidin-1-ium-4-yl)amino]chromen-2-one CAS Name: 3-amino-4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-1-benzopyran-2-one IUPAC Name: 3-amino-4-[(1-benzylpiperidin-1-ium-4-yl)amino]chromen-2-one Traditional Name: 3-amino-4-[(1-benzylpiperidin-1-ium-4-yl)amino]coumarin Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c22-19-20(17-8-4-5-9-18(17)26-21(19)25)23-16-10-12-24(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,23H,10-14,22H2/p+1