2-azanyl-4-(1,3-benzodioxol-5-yl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile Formula: C21H16N3O2+ MolecularWeight: 342.37064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)[NH+]=C(C(=C2C4=CC5=C(C=C4)OCO5)C#N)N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)[NH+]=C(C(=C2C4=CC5=C(C=C4)OCO5)C#N)N

InChI

InChI=1S/C21H15N3O2/c22-10-16-19(13-6-8-17-18(9-13)26-11-25-17)15-7-5-12-3-1-2-4-14(12)20(15)24-21(16)23/h1-4,6,8-9H,5,7,11H2,(H2,23,24)/p+1