[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C21H31ClNO2S+ MolecularWeight: 396.99434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

InChI

InChI=1S/C21H30ClNO2S/c1-20(2,3)14-21(4,5)23-12-15-10-17(22)19(18(11-15)24-6)25-13-16-8-7-9-26-16/h7-11,23H,12-14H2,1-6H3/p+1