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

Systemtic Name: [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-methoxy-4-(m-tolylmethoxy)phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-methoxy-4-(3-methylbenzyl)oxy-benzyl]-(2-thenyl)ammonium Formula: C21H24NO2S+ MolecularWeight: 354.48576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C[NH2+]CC3=CC=CS3)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C[NH2+]CC3=CC=CS3)OC

InChI

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