[4-(phenylmethyl)thieno[3,2-b]pyrrol-5-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-(phenylmethyl)thieno[3,2-b]pyrrol-5-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(phenylmethyl)-5-thieno[3,2-b]pyrrolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3

InChI

InChI=1S/C21H25N3OS/c1-2-9-22-10-12-23(13-11-22)21(25)19-15-20-18(8-14-26-20)24(19)16-17-6-4-3-5-7-17/h3-8,14-15H,2,9-13,16H2,1H3/p+1