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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CC2=CN=CC=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CC2=CN=CC=C2)OC

InChI

InChI=1S/C20H27N3O3/c1-20(2,3)23-19(24)14-26-17-8-7-15(10-18(17)25-4)11-22-13-16-6-5-9-21-12-16/h5-10,12,22H,11,13-14H2,1-4H3,(H,23,24)/p+1