[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [3-methoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [3-methoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [4-(2-keto-2-piperidino-ethoxy)-3-methoxy-benzyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C21H35N3O4+2 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)OCC(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)OCC(=O)N3CCCCC3

InChI

InChI=1S/C21H33N3O4/c1-26-20-15-18(16-22-7-10-23-11-13-27-14-12-23)5-6-19(20)28-17-21(25)24-8-3-2-4-9-24/h5-6,15,22H,2-4,7-14,16-17H2,1H3/p+2