3-nitro-4-(2-piperidin-1-ium-1-ylethylamino)chromen-2-one

Systemtic Name: 3-nitro-4-(2-piperidin-1-ium-1-ylethylamino)chromen-2-one Openeye Name: 3-nitro-4-(2-piperidin-1-ium-1-ylethylamino)chromen-2-one CAS Name: 3-nitro-4-[2-(1-piperidin-1-iumyl)ethylamino]-1-benzopyran-2-one IUPAC Name: 3-nitro-4-(2-piperidin-1-ium-1-ylethylamino)chromen-2-one Traditional Name: 3-nitro-4-(2-piperidin-1-ium-1-ylethylamino)coumarin Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c20-16-15(19(21)22)14(12-6-2-3-7-13(12)23-16)17-8-11-18-9-4-1-5-10-18/h2-3,6-7,17H,1,4-5,8-11H2/p+1