4-azanyl-3-(azepan-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-azanyl-3-(azepan-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-amino-3-(azepan-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-amino-3-(1-azepan-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-amino-3-(azepan-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-amino-3-(azepan-1-ium-1-ylmethyl)coumarin Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C3=CC=CC=C3OC2=O)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C3=CC=CC=C3OC2=O)N

InChI

InChI=1S/C16H20N2O2/c17-15-12-7-3-4-8-14(12)20-16(19)13(15)11-18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-11,17H2/p+1