[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C19H27ClN2O3S+2 MolecularWeight: 398.94728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O3S/c1-23-18-12-15(13-21-4-5-22-6-8-24-9-7-22)11-17(20)19(18)25-14-16-3-2-10-26-16/h2-3,10-12,21H,4-9,13-14H2,1H3/p+2