N-[3-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[(3-cyano-6-methoxy-2-quinolin-1-iumyl)amino]propyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxy-benzamide Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H24N4O4/c1-29-18-6-7-19-16(12-18)11-17(14-24)22(27-19)25-9-4-10-26-23(28)15-5-8-20(30-2)21(13-15)31-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,25,27)(H,26,28)/p+1