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

Systemtic Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [3-methoxy-4-(2-thienylmethoxy)phenyl]methyl-(p-tolylmethyl)ammonium CAS Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [3-methoxy-4-(2-thenyloxy)benzyl]-(4-methylbenzyl)ammonium Formula: C21H24NO2S+ MolecularWeight: 354.48576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2S/c1-16-5-7-17(8-6-16)13-22-14-18-9-10-20(21(12-18)23-2)24-15-19-4-3-11-25-19/h3-12,22H,13-15H2,1-2H3/p+1