[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [3-methoxy-4-(2-thienylmethoxy)phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [3-methoxy-4-(2-thenyloxy)benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C20H30N2O3S+2 MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC3=CC=CS3

InChI

InChI=1S/C20H28N2O3S/c1-23-20-14-17(5-6-19(20)25-16-18-4-2-13-26-18)15-21-7-3-8-22-9-11-24-12-10-22/h2,4-6,13-14,21H,3,7-12,15-16H2,1H3/p+2