[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(4-pyridylmethyl)ammonium Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=NC=C2)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=NC=C2)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C21H29N3O3/c1-5-26-19-12-17(14-23-13-16-8-10-22-11-9-16)6-7-18(19)27-15-20(25)24-21(2,3)4/h6-12,23H,5,13-15H2,1-4H3,(H,24,25)/p+1