[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)OCC3=CC=CS3

InChI

InChI=1S/C20H28N2O3S/c1-2-24-20-14-17(15-21-7-8-22-9-11-23-12-10-22)5-6-19(20)25-16-18-4-3-13-26-18/h3-6,13-14,21H,2,7-12,15-16H2,1H3/p+2