ethyl 3-methyl-4-[3-[3-[(1-oxidanylpyridin-1-ium-2-yl)amino]propoxy]phenyl]butanoate

Systemtic Name: ethyl 3-methyl-4-[3-[3-[(1-oxidanylpyridin-1-ium-2-yl)amino]propoxy]phenyl]butanoate Openeye Name: ethyl 4-[3-[3-[(1-hydroxypyridin-1-ium-2-yl)amino]propoxy]phenyl]-3-methyl-butanoate CAS Name: 4-[3-[3-[(1-hydroxy-2-pyridin-1-iumyl)amino]propoxy]phenyl]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-[(1-hydroxypyridin-1-ium-2-yl)amino]propoxy]phenyl]-3-methylbutanoate Traditional Name: 4-[3-[3-[(1-hydroxypyridin-1-ium-2-yl)amino]propoxy]phenyl]-3-methyl-butyric acid ethyl ester Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)CC1=CC(=CC=C1)OCCCNC2=CC=CC=[N+]2O

Isomeric SMILES

CCOC(=O)CC(C)CC1=CC(=CC=C1)OCCCNC2=CC=CC=[N+]2O

InChI

InChI=1S/C21H28N2O4/c1-3-26-21(24)15-17(2)14-18-8-6-9-19(16-18)27-13-7-11-22-20-10-4-5-12-23(20)25/h4-6,8-10,12,16-17,25H,3,7,11,13-15H2,1-2H3/p+1