[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C20H35N3O3+2 MolecularWeight: 365.5102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CC2CC[NH2+]CC2)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CC2CC[NH2+]CC2)OC

InChI

InChI=1S/C20H33N3O3/c1-20(2,3)23-19(24)14-26-17-6-5-16(11-18(17)25-4)13-22-12-15-7-9-21-10-8-15/h5-6,11,15,21-22H,7-10,12-14H2,1-4H3,(H,23,24)/p+2