2-azanyl-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C17H16N3O2+ MolecularWeight: 294.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O2/c18-8-12-16(10-5-6-14-15(7-10)22-9-21-14)11-3-1-2-4-13(11)20-17(12)19/h5-7H,1-4,9H2,(H2,19,20)/p+1