[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)benzyl]-(2-thenyl)ammonium Formula: C21H22NO3S+ MolecularWeight: 368.46928

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)COC3=CC=C(C=C3)C[NH2+]CC4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)COC3=CC=C(C=C3)C[NH2+]CC4=CC=CS4

InChI

InChI=1S/C21H21NO3S/c1-2-19(26-11-1)14-22-13-16-3-6-18(7-4-16)25-15-17-5-8-20-21(12-17)24-10-9-23-20/h1-8,11-12,22H,9-10,13-15H2/p+1