2-[2-(dimethylamino)-7-methoxy-quinolin-1-ium-3-yl]ethanenitrile

Systemtic Name: 2-[2-(dimethylamino)-7-methoxy-quinolin-1-ium-3-yl]ethanenitrile Openeye Name: 2-[2-(dimethylamino)-7-methoxy-quinolin-1-ium-3-yl]acetonitrile CAS Name: 2-[2-(dimethylamino)-7-methoxy-3-quinolin-1-iumyl]acetonitrile IUPAC Name: 2-[2-(dimethylamino)-7-methoxyquinolin-1-ium-3-yl]acetonitrile Traditional Name: 2-[2-(dimethylamino)-7-methoxy-quinolin-1-ium-3-yl]acetonitrile Formula: C14H16N3O+ MolecularWeight: 242.29634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C=CC(=CC2=[NH+]1)OC)CC#N

Isomeric SMILES

CN(C)C1=C(C=C2C=CC(=CC2=[NH+]1)OC)CC#N

InChI

InChI=1S/C14H15N3O/c1-17(2)14-11(6-7-15)8-10-4-5-12(18-3)9-13(10)16-14/h4-5,8-9H,6H2,1-3H3/p+1