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

Systemtic Name: N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[3-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]propyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[3-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide Formula: C25H29N4O5+ MolecularWeight: 465.52156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H28N4O5/c1-5-34-19-7-8-20-16(12-19)11-18(15-26)24(29-20)27-9-6-10-28-25(30)17-13-21(31-2)23(33-4)22(14-17)32-3/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,27,29)(H,28,30)/p+1