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

Systemtic Name: 3-azanyl-4-(2-piperidin-1-ium-1-ylethylamino)chromen-2-one Openeye Name: 3-amino-4-(2-piperidin-1-ium-1-ylethylamino)chromen-2-one CAS Name: 3-amino-4-[2-(1-piperidin-1-iumyl)ethylamino]-1-benzopyran-2-one IUPAC Name: 3-amino-4-(2-piperidin-1-ium-1-ylethylamino)chromen-2-one Traditional Name: 3-amino-4-(2-piperidin-1-ium-1-ylethylamino)coumarin Formula: C16H22N3O2+ MolecularWeight: 288.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c17-14-15(18-8-11-19-9-4-1-5-10-19)12-6-2-3-7-13(12)21-16(14)20/h2-3,6-7,18H,1,4-5,8-11,17H2/p+1