N-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[(3-cyano-6-methoxy-2-quinolin-1-iumyl)amino]ethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]ethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3,4,5-trimethoxy-benzamide Formula: C23H25N4O5+ MolecularWeight: 437.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O5/c1-29-17-5-6-18-14(10-17)9-16(13-24)22(27-18)25-7-8-26-23(28)15-11-19(30-2)21(32-4)20(12-15)31-3/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)(H,26,28)/p+1