(4-bromanyl-5-propyl-thiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-bromanyl-5-propyl-thiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-bromo-5-propyl-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-bromo-5-propyl-2-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-bromo-5-propylthiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-bromo-5-propyl-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H21BrN3OS+ MolecularWeight: 395.33714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Br

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Br

InChI

InChI=1S/C17H20BrN3OS/c1-2-5-14-13(18)12-15(23-14)17(22)21-10-8-20(9-11-21)16-6-3-4-7-19-16/h3-4,6-7,12H,2,5,8-11H2,1H3/p+1