phenethyl-bis(4H-thieno[3,2-b]pyrrol-5-ylmethyl)azanium

Systemtic Name: phenethyl-bis(4H-thieno[3,2-b]pyrrol-5-ylmethyl)azanium Openeye Name: phenethyl-bis(4H-thieno[3,2-b]pyrrol-5-ylmethyl)ammonium CAS Name: phenethyl-bis(4H-thieno[3,2-b]pyrrol-5-ylmethyl)ammonium IUPAC Name: phenethyl-bis(4H-thieno[3,2-b]pyrrol-5-ylmethyl)azanium Traditional Name: phenethyl-bis(4H-thieno[3,2-b]pyrrol-5-ylmethyl)ammonium Formula: C22H22N3S2+ MolecularWeight: 392.56018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC3=C(N2)C=CS3)CC4=CC5=C(N4)C=CS5

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC3=C(N2)C=CS3)CC4=CC5=C(N4)C=CS5

InChI

InChI=1S/C22H21N3S2/c1-2-4-16(5-3-1)6-9-25(14-17-12-21-19(23-17)7-10-26-21)15-18-13-22-20(24-18)8-11-27-22/h1-5,7-8,10-13,23-24H,6,9,14-15H2/p+1