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

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-(p-tolylmethyl)ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-(4-methylbenzyl)ammonium Formula: C21H23ClNO2S+ MolecularWeight: 388.93082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

InChI

InChI=1S/C21H22ClNO2S/c1-15-5-7-16(8-6-15)12-23-13-17-10-19(22)21(20(11-17)24-2)25-14-18-4-3-9-26-18/h3-11,23H,12-14H2,1-2H3/p+1