(4,5-dimethylthiophen-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4,5-dimethylthiophen-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4,5-dimethyl-3-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4,5-dimethyl-3-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4,5-dimethylthiophen-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4,5-dimethyl-3-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=C(SC=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C16H19N3OS/c1-12-13(2)21-11-14(12)16(20)19-9-7-18(8-10-19)15-5-3-4-6-17-15/h3-6,11H,7-10H2,1-2H3/p+1