N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[3-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]propyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[3-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N)C

InChI

InChI=1S/C25H28N4O4/c1-15-9-16(2)19-11-18(14-26)24(29-20(19)10-15)27-7-6-8-28-25(30)17-12-21(31-3)23(33-5)22(13-17)32-4/h9-13H,6-8H2,1-5H3,(H,27,29)(H,28,30)/p+1