3-[(5S)-3-azanyl-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-4-ium-7-yl]chromen-2-one

Systemtic Name: 3-[(5S)-3-azanyl-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-4-ium-7-yl]chromen-2-one Openeye Name: 3-[(5S)-3-amino-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-4-ium-7-yl]chromen-2-one CAS Name: 3-[(5S)-3-amino-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-4-ium-7-yl]-1-benzopyran-2-one IUPAC Name: 3-[(5S)-3-amino-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-4-ium-7-yl]chromen-2-one Traditional Name: 3-[(5S)-3-amino-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-4-ium-7-yl]coumarin Formula: C20H17N4O4+ MolecularWeight: 377.37338

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+]=C(NN=C1C2=CC3=CC=CC=C3OC2=O)N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1[C@H]([NH+]=C(NN=C1C2=CC3=CC=CC=C3OC2=O)N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H16N4O4/c21-20-22-14(11-5-6-17-18(8-11)27-10-26-17)9-15(23-24-20)13-7-12-3-1-2-4-16(12)28-19(13)25/h1-8,14H,9-10H2,(H3,21,22,24)/p+1/t14-/m0/s1