N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[3-[(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)amino]propyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[3-[(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[3-[(3-cyano-7,8-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=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N)C

InChI

InChI=1S/C25H28N4O4/c1-15-7-8-17-11-19(14-26)24(29-22(17)16(15)2)27-9-6-10-28-25(30)18-12-20(31-3)23(33-5)21(13-18)32-4/h7-8,11-13H,6,9-10H2,1-5H3,(H,27,29)(H,28,30)/p+1