8-(azepan-1-ium-1-ylmethyl)-[1,3]dioxolo[4,5-g]chromen-6-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-[1,3]dioxolo[4,5-g]chromen-6-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-[1,3]dioxolo[4,5-g]chromen-6-one CAS Name: 8-(1-azepan-1-iumylmethyl)-[1,3]dioxolo[4,5-g][1]benzopyran-6-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-[1,3]dioxolo[4,5-g]chromen-6-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-[1,3]dioxolo[4,5-g]chromen-6-one Formula: C17H20NO4+ MolecularWeight: 302.345

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(C=C23)OCO4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(C=C23)OCO4

InChI

InChI=1S/C17H19NO4/c19-17-7-12(10-18-5-3-1-2-4-6-18)13-8-15-16(21-11-20-15)9-14(13)22-17/h7-9H,1-6,10-11H2/p+1