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

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C22H25ClNO3S+ MolecularWeight: 418.9568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

InChI

InChI=1S/C22H24ClNO3S/c1-25-18-7-5-16(6-8-18)9-10-24-14-17-12-20(23)22(21(13-17)26-2)27-15-19-4-3-11-28-19/h3-8,11-13,24H,9-10,14-15H2,1-2H3/p+1